2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide

C23H25N3O4 — CID 166355790

IUPAC2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(-c2noc(=O)[nH]2)cc1)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C23H25N3O4/c27-20(15-29-19-11-9-17(10-12-19)21-25-22(28)30-26-21)24-16-23(13-5-2-6-14-23)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2,(H,24,27)(H,25,26,28)
InChIKeyDMAFNRWVXIUYBZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.43
Rot. Bonds7

About 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide

2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide (PubChem CID 166355790) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide
PubChem CID166355790
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(-c2noc(=O)[nH]2)cc1)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C23H25N3O4/c27-20(15-29-19-11-9-17(10-12-19)21-25-22(28)30-26-21)24-16-23(13-5-2-6-14-23)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2,(H,24,27)(H,25,26,28)
InChIKeyDMAFNRWVXIUYBZ-UHFFFAOYSA-N
XLogP3.43
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide 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

2-(4-cyanophenoxy)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 17437937
2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 171132856
2-(2-phenoxyethoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 55759227
methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
CID 134038073
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclohexyl)methyl]butanamide
CID 46453834
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 31506753
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
2-(2-methoxyphenoxy)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 167860661
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 87016543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide (CID 166355790) is 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide is O=C(COc1ccc(-c2noc(=O)[nH]2)cc1)NCC1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The InChIKey is DMAFNRWVXIUYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-20(15-29-19-11-9-17(10-12-19)21-25-22(28)30-26-21)24-16-23(13-5-2-6-14-23)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2,(H,24,27)(H,25,26,28).
What are the key properties of 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide?
2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 166355790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).