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

C15H15ClN2O4 — CID 84588911

IUPAC3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C15H15ClN2O4/c1-9(15(20)21)7-17-13(19)6-12-8-22-14(18-12)10-2-4-11(16)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,20,21)
InChIKeyDWUVTROUVKBXIB-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.37
Rot. Bonds6

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

3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid (PubChem CID 84588911) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
PubChem CID84588911
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C15H15ClN2O4/c1-9(15(20)21)7-17-13(19)6-12-8-22-14(18-12)10-2-4-11(16)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,20,21)
InChIKeyDWUVTROUVKBXIB-UHFFFAOYSA-N
XLogP2.37
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
tert-butyl N-[1-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylbutan-2-yl]carbamate
CID 86956636
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119998364
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 56826461
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
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]-(2-methylpropyl)amino]acetic acid
CID 119193245

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid (CID 84588911) is 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid is CC(CNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)O.
What is the InChIKey of 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
The InChIKey is DWUVTROUVKBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-9(15(20)21)7-17-13(19)6-12-8-22-14(18-12)10-2-4-11(16)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid?
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid has a molecular weight of 322.75 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 84588911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).