2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid

C15H16N2O4 — CID 81312082

IUPAC2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCc1noc(C)c1C(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H16N2O4/c1-9-14(10(2)21-17-9)15(20)16-8-12-6-4-3-5-11(12)7-13(18)19/h3-6H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIFZUPAOFXAHMHI-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.85
Rot. Bonds5

About 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid

2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid (PubChem CID 81312082) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
PubChem CID81312082
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCc1noc(C)c1C(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H16N2O4/c1-9-14(10(2)21-17-9)15(20)16-8-12-6-4-3-5-11(12)7-13(18)19/h3-6H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIFZUPAOFXAHMHI-UHFFFAOYSA-N
XLogP1.85
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 9142942
N-(2-methoxy-2-phenylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 47187692
3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 119105609
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46470743
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 75461199
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid (CID 81312082) is 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid is Cc1noc(C)c1C(=O)NCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid?
The InChIKey is IFZUPAOFXAHMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-14(10(2)21-17-9)15(20)16-8-12-6-4-3-5-11(12)7-13(18)19/h3-6H,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid?
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81312082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).