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

C17H16F3N3O — CID 134804957

IUPAC3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NC(C)C)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H16F3N3O/c1-9(2)21-14-8-13(22-15-10(3)23-24-16(14)15)11-5-4-6-12(7-11)17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKeyDAFLZIISTOHNPO-UHFFFAOYSA-N
MW335.33 g/mol
LogP5.04
Rot. Bonds3

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

3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134804957) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134804957
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NC(C)C)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H16F3N3O/c1-9(2)21-14-8-13(22-15-10(3)23-24-16(14)15)11-5-4-6-12(7-11)17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKeyDAFLZIISTOHNPO-UHFFFAOYSA-N
XLogP5.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[5-(4-Fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
CID 134809613
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
3-(4-Nitrophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3743946
3-(3-Pyridinyl)-6-(trifluoromethyl)isoxazolo[4,5-b]pyridine
CID 3746782
N-(2-methoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804920
5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805649
5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805660
5-(4-fluorophenyl)-3-methyl-N-(1-methylpiperidin-4-yl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805967
3-methyl-N-(pyridin-3-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134806292
3-methyl-7-(1H-pyrazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
CID 134806635
N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 134806935
[3-[3-Methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
CID 134806963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134804957) is 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NC(C)C)cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is DAFLZIISTOHNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-9(2)21-14-8-13(22-15-10(3)23-24-16(14)15)11-5-4-6-12(7-11)17(18,19)20/h4-9H,1-3H3,(H,21,22).
What are the key properties of 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 335.33 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134804957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).