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

C18H16FN5O — CID 23647335

IUPACN-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCN(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H16FN5O/c1-3-23(2)18-22-21-15-9-6-13(10-24(15)18)17-16(20-11-25-17)12-4-7-14(19)8-5-12/h4-11H,3H2,1-2H3
InChIKeyIDTWBTMCQKAQQB-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.65
Rot. Bonds4

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

N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 23647335) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID23647335
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC NameN-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCN(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H16FN5O/c1-3-23(2)18-22-21-15-9-6-13(10-24(15)18)17-16(20-11-25-17)12-4-7-14(19)8-5-12/h4-11H,3H2,1-2H3
InChIKeyIDTWBTMCQKAQQB-UHFFFAOYSA-N
XLogP3.65
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 23647335) is N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CCN(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12.
What is the InChIKey of N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is IDTWBTMCQKAQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-3-23(2)18-22-21-15-9-6-13(10-24(15)18)17-16(20-11-25-17)12-4-7-14(19)8-5-12/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 337.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 23647335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).