(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C24H27N3O3 — CID 7679002

IUPAC(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C24H27N3O3/c1-18(29-21-15-9-4-10-16-21)24(28)27(20-13-7-3-8-14-20)17-22-25-23(26-30-22)19-11-5-2-6-12-19/h2,4-6,9-12,15-16,18,20H,3,7-8,13-14,17H2,1H3/t18-/m0/s1
InChIKeyWJJXEEJDHXFDDS-SFHVURJKSA-N
MW405.50 g/mol
LogP4.87
Rot. Bonds7

About (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 7679002) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID7679002
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C24H27N3O3/c1-18(29-21-15-9-4-10-16-21)24(28)27(20-13-7-3-8-14-20)17-22-25-23(26-30-22)19-11-5-2-6-12-19/h2,4-6,9-12,15-16,18,20H,3,7-8,13-14,17H2,1H3/t18-/m0/s1
InChIKeyWJJXEEJDHXFDDS-SFHVURJKSA-N
XLogP4.87
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 2981666
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
(2S)-N-tert-butyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 40963684
N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836434
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
CID 3899843
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
N-ethyl-2-(4-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6494951
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874769
N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2240067
(2R)-2-(3-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
CID 40638297
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-phenoxypropanamide
CID 8874772

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 7679002) is (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is C[C@H](Oc1ccccc1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is WJJXEEJDHXFDDS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18(29-21-15-9-4-10-16-21)24(28)27(20-13-7-3-8-14-20)17-22-25-23(26-30-22)19-11-5-2-6-12-19/h2,4-6,9-12,15-16,18,20H,3,7-8,13-14,17H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 7679002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).