(2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide

C20H20ClN3O4 — CID 97267545

IUPAC(2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C20H20ClN3O4/c1-3-15(27-17-11-7-6-10-16(17)26-2)20(25)22-12-18-23-19(24-28-18)13-8-4-5-9-14(13)21/h4-11,15H,3,12H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyYVHLJCBDULLMEF-HNNXBMFYSA-N
MW401.85 g/mol
LogP3.87
Rot. Bonds8

About (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide

(2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide (PubChem CID 97267545) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide
PubChem CID97267545
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name(2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C20H20ClN3O4/c1-3-15(27-17-11-7-6-10-16(17)26-2)20(25)22-12-18-23-19(24-28-18)13-8-4-5-9-14(13)21/h4-11,15H,3,12H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyYVHLJCBDULLMEF-HNNXBMFYSA-N
XLogP3.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)butanamide
CID 50874934
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,5-dimethylphenoxy)butanamide
CID 132661143
(2R)-2-(2-chlorophenoxy)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267412
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 132661146
(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 71819912
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 50875032
2-(2-fluorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658091
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide (CID 97267545) is (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide is CC[C@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide?
The InChIKey is YVHLJCBDULLMEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-3-15(27-17-11-7-6-10-16(17)26-2)20(25)22-12-18-23-19(24-28-18)13-8-4-5-9-14(13)21/h4-11,15H,3,12H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide?
(2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide has a molecular weight of 401.85 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 97267545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).