2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

C19H17N7O2 — CID 90192086

IUPAC2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C19H17N7O2/c27-18(15-11-28-19(23-15)13-4-2-1-3-5-13)22-14-6-8-25(10-14)16-17-24-21-12-26(17)9-7-20-16/h1-5,7,9,11-12,14H,6,8,10H2,(H,22,27)/t14-/m0/s1
InChIKeyXETAVKWLZKNTAB-AWEZNQCLSA-N
MW375.39 g/mol
LogP1.79
Rot. Bonds4

About 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 90192086) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID90192086
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C19H17N7O2/c27-18(15-11-28-19(23-15)13-4-2-1-3-5-13)22-14-6-8-25(10-14)16-17-24-21-12-26(17)9-7-20-16/h1-5,7,9,11-12,14H,6,8,10H2,(H,22,27)/t14-/m0/s1
InChIKeyXETAVKWLZKNTAB-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (CID 90192086) is 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1coc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is XETAVKWLZKNTAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17N7O2/c27-18(15-11-28-19(23-15)13-4-2-1-3-5-13)22-14-6-8-25(10-14)16-17-24-21-12-26(17)9-7-20-16/h1-5,7,9,11-12,14H,6,8,10H2,(H,22,27)/t14-/m0/s1.
What are the key properties of 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-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 2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90192086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).