2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid

C16H17ClN2O4 — CID 119192106

IUPAC2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)O
InChIInChI=1S/C16H17ClN2O4/c1-3-7-16(2,15(21)22)18-14(20)13-9-12(19-23-13)10-5-4-6-11(17)8-10/h4-6,8-9H,3,7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyZGBWSJCGHBXETF-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.37
Rot. Bonds6

About 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid

2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 119192106) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid
PubChem CID119192106
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)O
InChIInChI=1S/C16H17ClN2O4/c1-3-7-16(2,15(21)22)18-14(20)13-9-12(19-23-13)10-5-4-6-11(17)8-10/h4-6,8-9H,3,7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyZGBWSJCGHBXETF-UHFFFAOYSA-N
XLogP3.37
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid (CID 119192106) is 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)O.
What is the InChIKey of 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is ZGBWSJCGHBXETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-3-7-16(2,15(21)22)18-14(20)13-9-12(19-23-13)10-5-4-6-11(17)8-10/h4-6,8-9H,3,7H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid?
2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid has a molecular weight of 336.78 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 119192106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).