2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide

C23H28N4O3 — CID 146069714

IUPAC2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
SMILESO=C(CC1CC1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H28N4O3/c28-20(12-15-8-9-15)24-19-14-17(23(29)27-10-4-5-11-27)13-18(19)22-25-21(26-30-22)16-6-2-1-3-7-16/h1-3,6-7,15,17-19H,4-5,8-14H2,(H,24,28)/t17-,18-,19+/m1/s1
InChIKeyJKCVWQPYBCTWQS-QRVBRYPASA-N
MW408.50 g/mol
LogP3.14
Rot. Bonds6

About 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide

2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide (PubChem CID 146069714) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
PubChem CID146069714
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
SMILESO=C(CC1CC1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H28N4O3/c28-20(12-15-8-9-15)24-19-14-17(23(29)27-10-4-5-11-27)13-18(19)22-25-21(26-30-22)16-6-2-1-3-7-16/h1-3,6-7,15,17-19H,4-5,8-14H2,(H,24,28)/t17-,18-,19+/m1/s1
InChIKeyJKCVWQPYBCTWQS-QRVBRYPASA-N
XLogP3.14
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]propanamide
CID 146069709
N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide
CID 146069733
(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-cyclohexylacetyl)amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578633
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
(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
CID 154578648
(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)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyrazine-2-carboxamide
CID 146065980
3-methyl-N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]thiophene-2-carboxamide
CID 146065959
3-[(2-phenoxyacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150289
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
CID 171150315

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide (CID 146069714) is 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide is O=C(CC1CC1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide?
The InChIKey is JKCVWQPYBCTWQS-QRVBRYPASA-N. The full InChI is InChI=1S/C23H28N4O3/c28-20(12-15-8-9-15)24-19-14-17(23(29)27-10-4-5-11-27)13-18(19)22-25-21(26-30-22)16-6-2-1-3-7-16/h1-3,6-7,15,17-19H,4-5,8-14H2,(H,24,28)/t17-,18-,19+/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide?
2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide is sourced from PubChem (CID 146069714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).