3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid

C14H14N2O4 — CID 107369381

IUPAC3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1ccccc1C(C)NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C14H14N2O4/c1-8-5-3-4-6-10(8)9(2)15-13(17)11-7-12(14(18)19)20-16-11/h3-7,9H,1-2H3,(H,15,17)(H,18,19)
InChIKeyVABQDIOFGYWSIX-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.17
Rot. Bonds4

About 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid

3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369381) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369381
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1ccccc1C(C)NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C14H14N2O4/c1-8-5-3-4-6-10(8)9(2)15-13(17)11-7-12(14(18)19)20-16-11/h3-7,9H,1-2H3,(H,15,17)(H,18,19)
InChIKeyVABQDIOFGYWSIX-UHFFFAOYSA-N
XLogP2.17
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 114182526
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369167
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51857396
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107375144
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369708
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369381) is 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid is Cc1ccccc1C(C)NC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is VABQDIOFGYWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-5-3-4-6-10(8)9(2)15-13(17)11-7-12(14(18)19)20-16-11/h3-7,9H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).