3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid

C7H8N2O4 — CID 167721826

IUPAC3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)NCc1cc(C(=O)O)on1
InChIInChI=1S/C7H8N2O4/c1-4(10)8-3-5-2-6(7(11)12)13-9-5/h2H,3H2,1H3,(H,8,10)(H,11,12)
InChIKeyVSCXVWNXDCHPBA-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.01
Rot. Bonds3

About 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid

3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 167721826) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid
PubChem CID167721826
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)NCc1cc(C(=O)O)on1
InChIInChI=1S/C7H8N2O4/c1-4(10)8-3-5-2-6(7(11)12)13-9-5/h2H,3H2,1H3,(H,8,10)(H,11,12)
InChIKeyVSCXVWNXDCHPBA-UHFFFAOYSA-N
XLogP0.01
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
3-(phenylmethoxycarbonylaminomethyl)-1,2-oxazole-5-carboxylic acid
CID 167722476
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125010340
3-[(2-methylphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96610767
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582
3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369010
3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid
CID 96618745
3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96609565
3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369810
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011

Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid (CID 167721826) is 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid is CC(=O)NCc1cc(C(=O)O)on1.
What is the InChIKey of 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is VSCXVWNXDCHPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4(10)8-3-5-2-6(7(11)12)13-9-5/h2H,3H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid?
3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 167721826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).