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

C19H19N7O2 — CID 134380293

IUPACN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)C1N=C(c2ccccc2)ON1
InChIInChI=1S/C19H19N7O2/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/h1-5,7-8,10-11,14-15,24H,6,9,12H2,(H,22,27)/t14-,15?/m0/s1
InChIKeyMGMURHKQQWANSN-MLCCFXAWSA-N
MW377.41 g/mol
LogP0.73
Rot. Bonds4

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

N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide (PubChem CID 134380293) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide
PubChem CID134380293
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)C1N=C(c2ccccc2)ON1
InChIInChI=1S/C19H19N7O2/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/h1-5,7-8,10-11,14-15,24H,6,9,12H2,(H,22,27)/t14-,15?/m0/s1
InChIKeyMGMURHKQQWANSN-MLCCFXAWSA-N
XLogP0.73
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 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) is N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)C1N=C(c2ccccc2)ON1.
What is the InChIKey of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MGMURHKQQWANSN-MLCCFXAWSA-N. The full InChI is InChI=1S/C19H19N7O2/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/h1-5,7-8,10-11,14-15,24H,6,9,12H2,(H,22,27)/t14-,15?/m0/s1.
What are the key properties of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide?
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 134380293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).