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

C25H27N5O3 — CID 146069733

IUPACN-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H27N5O3/c31-22(13-17-7-6-10-26-16-17)27-21-15-19(25(32)30-11-4-5-12-30)14-20(21)24-28-23(29-33-24)18-8-2-1-3-9-18/h1-3,6-10,16,19-21H,4-5,11-15H2,(H,27,31)/t19-,20-,21+/m1/s1
InChIKeyOHZDTYZZVHVQDH-NJYVYQBISA-N
MW445.52 g/mol
LogP2.98
Rot. Bonds6

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

N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide (PubChem CID 146069733) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide
PubChem CID146069733
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H27N5O3/c31-22(13-17-7-6-10-26-16-17)27-21-15-19(25(32)30-11-4-5-12-30)14-20(21)24-28-23(29-33-24)18-8-2-1-3-9-18/h1-3,6-10,16,19-21H,4-5,11-15H2,(H,27,31)/t19-,20-,21+/m1/s1
InChIKeyOHZDTYZZVHVQDH-NJYVYQBISA-N
XLogP2.98
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-cyclopropyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]acetamide
CID 146069714
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
N-[(1S,2R,4R)-4-(morpholine-4-carbonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyrazine-2-carboxamide
CID 146065980
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
CID 171150315
(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
CID 154578648
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
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
(1R,3S,4R)-3-[(2-cyclohexylacetyl)amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578633

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide (CID 146069733) is N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)N[C@H]1C[C@H](C(=O)N2CCCC2)C[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide?
The InChIKey is OHZDTYZZVHVQDH-NJYVYQBISA-N. The full InChI is InChI=1S/C25H27N5O3/c31-22(13-17-7-6-10-26-16-17)27-21-15-19(25(32)30-11-4-5-12-30)14-20(21)24-28-23(29-33-24)18-8-2-1-3-9-18/h1-3,6-10,16,19-21H,4-5,11-15H2,(H,27,31)/t19-,20-,21+/m1/s1.
What are the key properties of N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide?
N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide has a molecular weight of 445.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 146069733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).