3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine

C20H21F3N4O — CID 134809636

IUPAC3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NC3CCN(C)CC3)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C20H21F3N4O/c1-12-18-19(28-26-12)17(24-15-6-8-27(2)9-7-15)11-16(25-18)13-4-3-5-14(10-13)20(21,22)23/h3-5,10-11,15H,6-9H2,1-2H3,(H,24,25)
InChIKeyWOYJCADWWYGLQF-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.72
Rot. Bonds3

About 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine

3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134809636) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134809636
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NC3CCN(C)CC3)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C20H21F3N4O/c1-12-18-19(28-26-12)17(24-15-6-8-27(2)9-7-15)11-16(25-18)13-4-3-5-14(10-13)20(21,22)23/h3-5,10-11,15H,6-9H2,1-2H3,(H,24,25)
InChIKeyWOYJCADWWYGLQF-UHFFFAOYSA-N
XLogP4.72
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134809636) is 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NC3CCN(C)CC3)cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is WOYJCADWWYGLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-12-18-19(28-26-12)17(24-15-6-8-27(2)9-7-15)11-16(25-18)13-4-3-5-14(10-13)20(21,22)23/h3-5,10-11,15H,6-9H2,1-2H3,(H,24,25).
What are the key properties of 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 390.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134809636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).