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

C19H16FN7O2 — CID 90192081

IUPAC2-(4-fluorophenyl)-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(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN7O2/c20-13-3-1-12(2-4-13)19-24-15(10-29-19)18(28)23-14-5-7-26(9-14)16-17-25-22-11-27(17)8-6-21-16/h1-4,6,8,10-11,14H,5,7,9H2,(H,23,28)/t14-/m0/s1
InChIKeyQJGPXUIKSZFLNO-AWEZNQCLSA-N
MW393.38 g/mol
LogP1.93
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 90192081) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-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-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID90192081
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name2-(4-fluorophenyl)-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(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN7O2/c20-13-3-1-12(2-4-13)19-24-15(10-29-19)18(28)23-14-5-7-26(9-14)16-17-25-22-11-27(17)8-6-21-16/h1-4,6,8,10-11,14H,5,7,9H2,(H,23,28)/t14-/m0/s1
InChIKeyQJGPXUIKSZFLNO-AWEZNQCLSA-N
XLogP1.93
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-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-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide (CID 90192081) is 2-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is QJGPXUIKSZFLNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16FN7O2/c20-13-3-1-12(2-4-13)19-24-15(10-29-19)18(28)23-14-5-7-26(9-14)16-17-25-22-11-27(17)8-6-21-16/h1-4,6,8,10-11,14H,5,7,9H2,(H,23,28)/t14-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide?
2-(4-fluorophenyl)-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 393.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-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 90192081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).