3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C14H9F3N2O — CID 2324446

IUPAC3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H9F3N2O/c1-8-12-10(14(15,16)17)7-11(18-13(12)20-19-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyUHTKOVALGZQKFJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.22
Rot. Bonds1

About 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 2324446) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID2324446
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H9F3N2O/c1-8-12-10(14(15,16)17)7-11(18-13(12)20-19-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyUHTKOVALGZQKFJ-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
3-Methyl-6-(2-thienyl)-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2324444
3,6-Dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16227229
6-cyclopropyl-3-methyl-N-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25980030
4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805123
6-(Trifluoromethyl)isoxazolo[5,4-b]pyridin-3-amine
CID 80461291
3-Methyl-4,6-bis(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2348961
6-Cyclopropyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16443415
6-Cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16786537
4,6-Dimethylisoxazolo[5,4-b]pyridin-3-amine
CID 24208795
6-methyl-3-pyrrolidin-2-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 118740475
6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134790892

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 2324446) is 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(-c3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is UHTKOVALGZQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c1-8-12-10(14(15,16)17)7-11(18-13(12)20-19-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 278.23 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 2324446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).