3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid

C16H18N2O4 — CID 119254605

IUPAC3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
SMILESCc1noc(C)c1CC(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-10-13(11(2)22-18-10)8-15(19)17-9-14(16(20)21)12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKXOARNJEZPQIRE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.82
Rot. Bonds6

About 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid

3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid (PubChem CID 119254605) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
PubChem CID119254605
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
SMILESCc1noc(C)c1CC(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-10-13(11(2)22-18-10)8-15(19)17-9-14(16(20)21)12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKXOARNJEZPQIRE-UHFFFAOYSA-N
XLogP1.82
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471637
N-(3-amino-3-phenylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 80505661
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111119841
2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid
CID 120528796
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43019628
N-[2-(diethylamino)-3-phenylpropyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43067553
N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 119525893
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
CID 43027703
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769
3-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-2-phenylpropanoic acid
CID 120528892

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid (CID 119254605) is 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid is Cc1noc(C)c1CC(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is KXOARNJEZPQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-13(11(2)22-18-10)8-15(19)17-9-14(16(20)21)12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid?
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 119254605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).