(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

C21H26N4O3 — CID 154578599

IUPAC(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@H](NC(=O)CC2CCCC2)[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C21H26N4O3/c22-19(27)15-11-16(17(12-15)23-18(26)10-13-6-4-5-7-13)21-24-20(25-28-21)14-8-2-1-3-9-14/h1-3,8-9,13,15-17H,4-7,10-12H2,(H2,22,27)(H,23,26)/t15-,16-,17+/m1/s1
InChIKeyTXDPYVLXWFCYQL-ZACQAIPSSA-N
MW382.46 g/mol
LogP2.78
Rot. Bonds6

About (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 154578599) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
PubChem CID154578599
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@H](NC(=O)CC2CCCC2)[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C21H26N4O3/c22-19(27)15-11-16(17(12-15)23-18(26)10-13-6-4-5-7-13)21-24-20(25-28-21)14-8-2-1-3-9-14/h1-3,8-9,13,15-17H,4-7,10-12H2,(H2,22,27)(H,23,26)/t15-,16-,17+/m1/s1
InChIKeyTXDPYVLXWFCYQL-ZACQAIPSSA-N
XLogP2.78
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,3S,4R)-3-[(2-cyclohexylacetyl)amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578633
2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
CID 146069714
3-[(2-phenoxyacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150289
(1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578594
(1R,3S,4R)-3-(3-cyclopentylpropanoylamino)-N,N-dimethyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578542
(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
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
CID 171150315
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-(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
2-(4-fluorophenoxy)-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
CID 146069731
6-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 146069732

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide (CID 154578599) is (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide is NC(=O)[C@H]1C[C@H](NC(=O)CC2CCCC2)[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is TXDPYVLXWFCYQL-ZACQAIPSSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-19(27)15-11-16(17(12-15)23-18(26)10-13-6-4-5-7-13)21-24-20(25-28-21)14-8-2-1-3-9-14/h1-3,8-9,13,15-17H,4-7,10-12H2,(H2,22,27)(H,23,26)/t15-,16-,17+/m1/s1.
What are the key properties of (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?
(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 154578599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).