(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid

C16H18N2O4 — CID 95766310

IUPAC(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCc1noc(C)c1C(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-3-12-15(10(2)22-18-12)16(21)17-13(9-14(19)20)11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,17,21)(H,19,20)/t13-/m1/s1
InChIKeyOZDPZWQWTCYKKD-CYBMUJFWSA-N
MW302.33 g/mol
LogP2.49
Rot. Bonds6

About (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid

(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 95766310) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID95766310
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCc1noc(C)c1C(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-3-12-15(10(2)22-18-12)16(21)17-13(9-14(19)20)11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,17,21)(H,19,20)/t13-/m1/s1
InChIKeyOZDPZWQWTCYKKD-CYBMUJFWSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid with MolForge

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 42929290
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
CID 78910383
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
3-ethyl-5-methyl-N-(1-naphthalen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18192523
3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 27233350
3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18775321
3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 51088312
3-ethyl-5-methyl-N-[(1R)-1-[(1R,2R)-2-phenylcyclopropyl]ethyl]-1,2-oxazole-4-carboxamide
CID 124732366
(3S)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1267772
(2S)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]pentanedioic acid
CID 61151729
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660597
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid (CID 95766310) is (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid is CCc1noc(C)c1C(=O)N[C@H](CC(=O)O)c1ccccc1.
What is the InChIKey of (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is OZDPZWQWTCYKKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-12-15(10(2)22-18-12)16(21)17-13(9-14(19)20)11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,17,21)(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid?
(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 95766310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).