[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone

C15H12F3N5O2 — CID 118379027

IUPAC[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc2c(-c3cnco3)cc(C(F)(F)F)cn12)N1CCCC1
InChIInChI=1S/C15H12F3N5O2/c16-15(17,18)9-5-10(11-6-19-8-25-11)12-20-21-13(23(12)7-9)14(24)22-3-1-2-4-22/h5-8H,1-4H2
InChIKeyVDJNOTUEEPLJOV-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.64
Rot. Bonds2

About [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone

[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118379027) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID118379027
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc2c(-c3cnco3)cc(C(F)(F)F)cn12)N1CCCC1
InChIInChI=1S/C15H12F3N5O2/c16-15(17,18)9-5-10(11-6-19-8-25-11)12-20-21-13(23(12)7-9)14(24)22-3-1-2-4-22/h5-8H,1-4H2
InChIKeyVDJNOTUEEPLJOV-UHFFFAOYSA-N
XLogP2.64
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azetidin-1-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378971
(4-methylpiperazin-1-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378860
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378996
(2-methylmorpholin-4-yl)-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378862
N,N-dimethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118379021
N-ethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118378928
[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118379015
8-(1,3-oxazol-5-yl)-N-(oxolan-3-ylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118378946
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
CID 118862296
tert-butyl 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 118862275
(3,3-difluoroazetidin-1-yl)-[6-ethyl-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118399756
[6-(difluoromethyl)-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 118399769

Frequently Asked Questions

What is the IUPAC name of [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 118379027) is [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1nnc2c(-c3cnco3)cc(C(F)(F)F)cn12)N1CCCC1.
What is the InChIKey of [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VDJNOTUEEPLJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c16-15(17,18)9-5-10(11-6-19-8-25-11)12-20-21-13(23(12)7-9)14(24)22-3-1-2-4-22/h5-8H,1-4H2.
What are the key properties of [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 351.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118379027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).