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

C24H26ClN3O3 — CID 2981666

IUPAC2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C24H26ClN3O3/c1-17(30-21-14-8-11-19(25)15-21)24(29)28(20-12-6-3-7-13-20)16-22-26-23(27-31-22)18-9-4-2-5-10-18/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3
InChIKeyGPCYZNFMFKQTRE-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.52
Rot. Bonds7

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

2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 2981666) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID2981666
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C24H26ClN3O3/c1-17(30-21-14-8-11-19(25)15-21)24(29)28(20-12-6-3-7-13-20)16-22-26-23(27-31-22)18-9-4-2-5-10-18/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3
InChIKeyGPCYZNFMFKQTRE-UHFFFAOYSA-N
XLogP5.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 7679002
(2R)-2-(3-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
CID 40638297
N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836434
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
3-(3-chlorophenyl)-1-cyclohexyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 17275392
(2S)-2-(3-chlorophenoxy)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8875176
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874769
(2S)-N-tert-butyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 40963684
(2S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-phenoxypropanamide
CID 8874772
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxy-N-propan-2-ylpropanamide
CID 40603676

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 2981666) is 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is GPCYZNFMFKQTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-17(30-21-14-8-11-19(25)15-21)24(29)28(20-12-6-3-7-13-20)16-22-26-23(27-31-22)18-9-4-2-5-10-18/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 439.94 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 2981666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).