3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid

C15H16N2O5 — CID 120701525

IUPAC3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)on1
InChIInChI=1S/C15H16N2O5/c1-15(14(19)20,10-6-4-3-5-7-10)9-16-13(18)11-8-12(21-2)17-22-11/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySCJKLYJDXWPBKS-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.46
Rot. Bonds6

About 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid

3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701525) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701525
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)on1
InChIInChI=1S/C15H16N2O5/c1-15(14(19)20,10-6-4-3-5-7-10)9-16-13(18)11-8-12(21-2)17-22-11/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySCJKLYJDXWPBKS-UHFFFAOYSA-N
XLogP1.46
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 120701444
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701392
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
2-methyl-3-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 120701224

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120701525) is 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid is COc1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)on1.
What is the InChIKey of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is SCJKLYJDXWPBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-15(14(19)20,10-6-4-3-5-7-10)9-16-13(18)11-8-12(21-2)17-22-11/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 304.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).