N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide

C19H17N7O2 — CID 90187382

IUPACN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCN(c2nccn3ccnc23)C1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H17N7O2/c27-18(15-23-19(28-24-15)13-4-2-1-3-5-13)22-14-6-9-26(12-14)17-16-20-7-10-25(16)11-8-21-17/h1-5,7-8,10-11,14H,6,9,12H2,(H,22,27)
InChIKeyBRHLZBWLVTTWMO-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.79
Rot. Bonds4

About N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide

N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 90187382) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID90187382
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC NameN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CCN(c2nccn3ccnc23)C1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H17N7O2/c27-18(15-23-19(28-24-15)13-4-2-1-3-5-13)22-14-6-9-26(12-14)17-16-20-7-10-25(16)11-8-21-17/h1-5,7-8,10-11,14H,6,9,12H2,(H,22,27)
InChIKeyBRHLZBWLVTTWMO-UHFFFAOYSA-N
XLogP1.79
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281110
3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]purine-2,6-dione
CID 134205591
(S)-N-(1-(imidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 75202692
(S)-5-phenyl-N-(1-(pyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl)-1,2,4-oxadiazole-3-carboxamide
CID 75202694
N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90192102
N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90192114
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide
CID 134380293
US10683309, Example 12
CID 155802757
5-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-imidazol-1-YL)pyridine
CID 53171758
2-(1H-Imidazol-1-YL)-5-(5-phenyl-1,2,4-oxadiazol-3-YL)pyridine
CID 53171773
3-[[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 53571103
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70710603

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide (CID 90187382) is N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CCN(c2nccn3ccnc23)C1)c1noc(-c2ccccc2)n1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BRHLZBWLVTTWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c27-18(15-23-19(28-24-15)13-4-2-1-3-5-13)22-14-6-9-26(12-14)17-16-20-7-10-25(16)11-8-21-17/h1-5,7-8,10-11,14H,6,9,12H2,(H,22,27).
What are the key properties of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 90187382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).