(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

C19H18ClN3O4 — CID 95062327

IUPAC(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESCOc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C19H18ClN3O4/c1-12(26-16-5-3-4-14(20)10-16)18(24)21-11-17-22-19(27-23-17)13-6-8-15(25-2)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyWGTGAVMMCSVIBE-LBPRGKRZSA-N
MW387.82 g/mol
LogP3.48
Rot. Bonds7

About (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (PubChem CID 95062327) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
PubChem CID95062327
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESCOc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C19H18ClN3O4/c1-12(26-16-5-3-4-14(20)10-16)18(24)21-11-17-22-19(27-23-17)13-6-8-15(25-2)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyWGTGAVMMCSVIBE-LBPRGKRZSA-N
XLogP3.48
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dimethoxybenzamide
CID 53049034
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
CID 53049042
(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 95062335
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261490
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (CID 95062327) is (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)no2)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The InChIKey is WGTGAVMMCSVIBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-12(26-16-5-3-4-14(20)10-16)18(24)21-11-17-22-19(27-23-17)13-6-8-15(25-2)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,24)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide has a molecular weight of 387.82 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is sourced from PubChem (CID 95062327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).