6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C17H14FN5O — CID 20626558

IUPAC6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCN(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H14FN5O/c1-22(2)17-21-20-14-8-5-12(9-23(14)17)16-15(19-10-24-16)11-3-6-13(18)7-4-11/h3-10H,1-2H3
InChIKeyAROFKXHYEPABPV-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.26
Rot. Bonds3

About 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 20626558) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID20626558
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCN(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H14FN5O/c1-22(2)17-21-20-14-8-5-12(9-23(14)17)16-15(19-10-24-16)11-3-6-13(18)7-4-11/h3-10H,1-2H3
InChIKeyAROFKXHYEPABPV-UHFFFAOYSA-N
XLogP3.26
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 20626558) is 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CN(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is AROFKXHYEPABPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-22(2)17-21-20-14-8-5-12(9-23(14)17)16-15(19-10-24-16)11-3-6-13(18)7-4-11/h3-10H,1-2H3.
What are the key properties of 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 323.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 20626558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).