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

C24H27N3O3 — CID 8836434

IUPACN-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1
InChIInChI=1S/C24H27N3O3/c1-18-9-8-14-21(15-18)29-17-23(28)27(20-12-6-3-7-13-20)16-22-25-24(26-30-22)19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20H,3,6-7,12-13,16-17H2,1H3
InChIKeyXXMAQQODYZECRS-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.79
Rot. Bonds7

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

N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 8836434) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID8836434
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1
InChIInChI=1S/C24H27N3O3/c1-18-9-8-14-21(15-18)29-17-23(28)27(20-12-6-3-7-13-20)16-22-25-24(26-30-22)19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20H,3,6-7,12-13,16-17H2,1H3
InChIKeyXXMAQQODYZECRS-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
N-cyclohexyl-2-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835592
(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 7679002
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide
CID 8836721
2-(3-chlorophenoxy)-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 2981666
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 43889677
3-tert-butyl-1-cyclohexyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895649
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
2-(3,4-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8875001
N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2240067
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641
N-cyclohexyl-2-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8874575

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 8836434) is N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1cccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is XXMAQQODYZECRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-9-8-14-21(15-18)29-17-23(28)27(20-12-6-3-7-13-20)16-22-25-24(26-30-22)19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20H,3,6-7,12-13,16-17H2,1H3.
What are the key properties of N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 8836434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).