6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one

C16H14Cl2N4O3 — CID 176872231

IUPAC6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESNc1ccc(Cl)c(=O)n1Cc1nc(C[C@H](O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H14Cl2N4O3/c17-10-3-1-9(2-4-10)12(23)7-14-20-15(25-21-14)8-22-13(19)6-5-11(18)16(22)24/h1-6,12,23H,7-8,19H2/t12-/m0/s1
InChIKeyGVJJRLWTGYXBKP-LBPRGKRZSA-N
MW381.22 g/mol
LogP2.44
Rot. Bonds5

About 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one

6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (PubChem CID 176872231) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
PubChem CID176872231
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESNc1ccc(Cl)c(=O)n1Cc1nc(C[C@H](O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H14Cl2N4O3/c17-10-3-1-9(2-4-10)12(23)7-14-20-15(25-21-14)8-22-13(19)6-5-11(18)16(22)24/h1-6,12,23H,7-8,19H2/t12-/m0/s1
InChIKeyGVJJRLWTGYXBKP-LBPRGKRZSA-N
XLogP2.44
TPSA107.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one 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 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The IUPAC name of 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (CID 176872231) is 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.
What is the SMILES notation for 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The canonical SMILES for 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is Nc1ccc(Cl)c(=O)n1Cc1nc(C[C@H](O)c2ccc(Cl)cc2)no1.
What is the InChIKey of 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The InChIKey is GVJJRLWTGYXBKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c17-10-3-1-9(2-4-10)12(23)7-14-20-15(25-21-14)8-22-13(19)6-5-11(18)16(22)24/h1-6,12,23H,7-8,19H2/t12-/m0/s1.
What are the key properties of 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one has a molecular weight of 381.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-1-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is sourced from PubChem (CID 176872231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).