N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide

C24H26N4O3 — CID 171150315

IUPACN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
SMILESCNC(=O)C1CC(NC(=O)CCc2ccccc2)C(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C24H26N4O3/c1-25-23(30)18-14-19(24-27-22(28-31-24)17-10-6-3-7-11-17)20(15-18)26-21(29)13-12-16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3,(H,25,30)(H,26,29)
InChIKeyHRDWMAPOSLDMLB-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.09
Rot. Bonds7

About N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide (PubChem CID 171150315) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
PubChem CID171150315
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
SMILESCNC(=O)C1CC(NC(=O)CCc2ccccc2)C(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C24H26N4O3/c1-25-23(30)18-14-19(24-27-22(28-31-24)17-10-6-3-7-11-17)20(15-18)26-21(29)13-12-16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3,(H,25,30)(H,26,29)
InChIKeyHRDWMAPOSLDMLB-UHFFFAOYSA-N
XLogP3.09
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
CID 154578648
3-phenyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]propanamide
CID 146069709
(1R,3S,4R)-3-[(2-cyclohexylacetyl)amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578633
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150304
(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578640
1-methyl-N-[(1S,2R,4R)-4-(methylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]imidazole-2-carboxamide
CID 154578662
(1R,3S,4R)-3-(3-cyclopentylpropanoylamino)-N,N-dimethyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578542
N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide
CID 146069733
3-[(2-phenoxyacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150289
(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578599
(1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578594
2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
CID 146069714

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide?
The IUPAC name of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide (CID 171150315) is N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide is CNC(=O)C1CC(NC(=O)CCc2ccccc2)C(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide?
The InChIKey is HRDWMAPOSLDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-25-23(30)18-14-19(24-27-22(28-31-24)17-10-6-3-7-11-17)20(15-18)26-21(29)13-12-16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide?
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 171150315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).