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

C15H16N2O4 — CID 61137160

IUPAC(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(-c2ccccc2)no1)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKeyIPYCZAQXVSJXMG-ZDUSSCGKSA-N
MW288.30 g/mol
LogP2.18
Rot. Bonds5

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

(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 61137160) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID61137160
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(-c2ccccc2)no1)C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKeyIPYCZAQXVSJXMG-ZDUSSCGKSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119359709
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
3-methyl-2-[[3-[4-(pyridin-2-ylcarbamoylamino)phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67353222
(2S)-3-methyl-2-[[3-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67353565
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
(2S)-3-methyl-2-[[3-[4-[[2-oxo-2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 66572309
(2S)-2-[[3-[4-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)phenyl]-1,2-oxazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 67353681
3-methyl-2-[[3-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67353464
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
(2S)-2-[[3-[4-[(4-chloro-2-phenoxyphenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 66572764
(2S)-2-[[3-[4-[[2-chloro-6-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 67352769
3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 103856479

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 61137160) is (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)no1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is IPYCZAQXVSJXMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)13(15(19)20)16-14(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H,16,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61137160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).