2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole

C17H13F3N4O2 — CID 141322092

IUPAC2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc(C2=CN3CN(Cc4ncco4)N=C3C=C2)cc1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-4-1-12(2-5-14)13-3-6-15-22-24(11-23(15)9-13)10-16-21-7-8-25-16/h1-9H,10-11H2
InChIKeyWJWNTYADNFLUOE-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.57
Rot. Bonds4

About 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole

2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole (PubChem CID 141322092) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole
PubChem CID141322092
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc(C2=CN3CN(Cc4ncco4)N=C3C=C2)cc1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-4-1-12(2-5-14)13-3-6-15-22-24(11-23(15)9-13)10-16-21-7-8-25-16/h1-9H,10-11H2
InChIKeyWJWNTYADNFLUOE-UHFFFAOYSA-N
XLogP3.57
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole (CID 141322092) is 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole is FC(F)(F)Oc1ccc(C2=CN3CN(Cc4ncco4)N=C3C=C2)cc1.
What is the InChIKey of 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole?
The InChIKey is WJWNTYADNFLUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)26-14-4-1-12(2-5-14)13-3-6-15-22-24(11-23(15)9-13)10-16-21-7-8-25-16/h1-9H,10-11H2.
What are the key properties of 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole?
2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole has a molecular weight of 362.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-(trifluoromethoxy)phenyl]-3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 141322092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).