(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid

C11H10ClN3O3 — CID 178127977

IUPAC(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid
SMILESC[C@@H](Nc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O
InChIInChI=1S/C11H10ClN3O3/c1-6(10(16)17)13-11-15-14-9(18-11)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15)(H,16,17)/t6-/m1/s1
InChIKeyAOKPTPUVYRHYRZ-ZCFIWIBFSA-N
MW267.67 g/mol
LogP2.28
Rot. Bonds4

About (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid

(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid (PubChem CID 178127977) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid
PubChem CID178127977
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid
SMILESC[C@@H](Nc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O
InChIInChI=1S/C11H10ClN3O3/c1-6(10(16)17)13-11-15-14-9(18-11)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15)(H,16,17)/t6-/m1/s1
InChIKeyAOKPTPUVYRHYRZ-ZCFIWIBFSA-N
XLogP2.28
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid (CID 178127977) is (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid is C[C@@H](Nc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid?
The InChIKey is AOKPTPUVYRHYRZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-6(10(16)17)13-11-15-14-9(18-11)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid?
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid has a molecular weight of 267.67 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]propanoic acid is sourced from PubChem (CID 178127977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).