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

C15H18N2O4 — CID 43353871

IUPAC3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1CC(c2ccccc2)=NO1)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDZBCKPVIHJHRLB-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.40
Rot. Bonds5

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

3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 43353871) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID43353871
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1CC(c2ccccc2)=NO1)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDZBCKPVIHJHRLB-UHFFFAOYSA-N
XLogP1.40
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95322598
N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 104981037
2-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 78600802
N-(2-methylpropoxy)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115410297
N-[bis(4-methoxyphenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55675627
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
(2R)-2-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-4-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
CID 124714563
(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
CID 7373147
2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 106107378
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46489182
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81369512

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 43353871) is 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)C1CC(c2ccccc2)=NO1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is DZBCKPVIHJHRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid?
3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43353871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).