2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid

C17H19ClN2O4 — CID 119212020

IUPAC2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C17H19ClN2O4/c1-3-10(2)15(17(22)23)20-14(21)8-13-9-24-16(19-13)11-4-6-12(18)7-5-11/h4-7,9-10,15H,3,8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyVSQRRJYOCMKHNX-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.15
Rot. Bonds7

About 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid

2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid (PubChem CID 119212020) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
PubChem CID119212020
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C17H19ClN2O4/c1-3-10(2)15(17(22)23)20-14(21)8-13-9-24-16(19-13)11-4-6-12(18)7-5-11/h4-7,9-10,15H,3,8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyVSQRRJYOCMKHNX-UHFFFAOYSA-N
XLogP3.15
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid with MolForge

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Related Compounds

3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]butanoic acid
CID 105352747
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
tert-butyl N-[1-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylbutan-2-yl]carbamate
CID 86956636
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388558
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119206351
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119193245
(2R)-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanamide
CID 94483610

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid (CID 119212020) is 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)O.
What is the InChIKey of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid?
The InChIKey is VSQRRJYOCMKHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-3-10(2)15(17(22)23)20-14(21)8-13-9-24-16(19-13)11-4-6-12(18)7-5-11/h4-7,9-10,15H,3,8H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid?
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid has a molecular weight of 350.80 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 119212020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).