CC1=C(OC=N1)C(=O)O
CAS: 2510-32-9
Name: 4-methyl-1,3-oxazole-5-carboxylic acid
SMILES: CC1=C(OC=N1)C(=O)O

Molecular Processing

Molecular formula
C5H5NO3
Molecular weight
127.1
Exact mass
127.0269
XLogP
0.68
TPSA
63.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
28.2

Supplementary Information

InChIKey: ZIXUNDOOBLSXPE-UHFFFAOYSA-N
Synonyme
4-methyl-1,3-oxazole-5-carboxylic acidDTXSID00303366RefChem:524889DTXCID30254498800-361-12510-32-94-Methyloxazole-5-carboxylic acid5-oxazolecarboxylic acid, 4-methyl-4-methyl-5-oxazolecarboxylic acidMFCD015710704-methyl-oxazole-5-carboxylic acid4-Methoxyoxazole-5-carboxylicAcid4-Methoxyoxazole-5-carboxylic AcidNSC158017SCHEMBL354015oxazole, 5-carboxy-4-methyl-SCHEMBL2440211CHEMBL4447127SCHEMBL122309494-methyloxazole-5-carboxylicacidZIXUNDOOBLSXPE-UHFFFAOYSA-NSBB053169AKOS000320421CS-W008834MB01897NSC-1580174-Methyloxazole-5-carboxylic acid, 97%AC-27136SY020521TS-01439
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