[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone

C25H26N4O3 — CID 91190972

IUPAC[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone
SMILESCONC1=CN(C(=O)c2ccc(-c3ccccc3)cc2)C(c2noc(C3CCCC3)n2)C1
InChIInChI=1S/C25H26N4O3/c1-31-27-21-15-22(23-26-24(32-28-23)19-9-5-6-10-19)29(16-21)25(30)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-4,7-8,11-14,16,19,22,27H,5-6,9-10,15H2,1H3
InChIKeyIEKSFRNZXNDVQB-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.97
Rot. Bonds6

About [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone

[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone (PubChem CID 91190972) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone
PubChem CID91190972
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone
SMILESCONC1=CN(C(=O)c2ccc(-c3ccccc3)cc2)C(c2noc(C3CCCC3)n2)C1
InChIInChI=1S/C25H26N4O3/c1-31-27-21-15-22(23-26-24(32-28-23)19-9-5-6-10-19)29(16-21)25(30)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-4,7-8,11-14,16,19,22,27H,5-6,9-10,15H2,1H3
InChIKeyIEKSFRNZXNDVQB-UHFFFAOYSA-N
XLogP4.97
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-[4-(methoxyamino)-1-(4-phenylbenzoyl)-2,3-dihydropyrrol-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 90893979
[4-(methoxyamino)-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone
CID 91167290
[4-(2-fluorophenyl)phenyl]-[(2S)-4-(methoxyamino)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydropyrrol-1-yl]methanone
CID 91121539
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone
CID 56764452
[4-(2-chloro-4-fluorophenyl)phenyl]-[(2S)-4-(methoxyamino)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydropyrrol-1-yl]methanone
CID 90953647
(4-hydroxypiperidin-1-yl)-[4-(methoxyamino)-1-(4-phenylbenzoyl)-2,3-dihydropyrrol-2-yl]methanone
CID 91484352
(3-hydroxypiperidin-1-yl)-[4-(methoxyamino)-1-(4-phenylbenzoyl)-2,3-dihydropyrrol-2-yl]methanone
CID 91305638
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
[(2S,4Z)-4-methoxyimino-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58714570
tert-butyl (3S)-3-[3-[(2S)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;[(2S)-4-methoxyimino-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 159230499
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 121096603

Frequently Asked Questions

What is the IUPAC name of [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone (CID 91190972) is [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone is CONC1=CN(C(=O)c2ccc(-c3ccccc3)cc2)C(c2noc(C3CCCC3)n2)C1.
What is the InChIKey of [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is IEKSFRNZXNDVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-31-27-21-15-22(23-26-24(32-28-23)19-9-5-6-10-19)29(16-21)25(30)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-4,7-8,11-14,16,19,22,27H,5-6,9-10,15H2,1H3.
What are the key properties of [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone?
[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 430.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 91190972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).