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

C19H12F3N3O — CID 134808016

IUPAC3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1noc2c(-c3cccnc3)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C19H12F3N3O/c1-11-17-18(26-25-11)15(13-5-3-7-23-10-13)9-16(24-17)12-4-2-6-14(8-12)19(20,21)22/h2-10H,1H3
InChIKeyNCNBRJRMTZEVOS-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.28
Rot. Bonds2

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

3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 134808016) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
PubChem CID134808016
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1noc2c(-c3cccnc3)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C19H12F3N3O/c1-11-17-18(26-25-11)15(13-5-3-7-23-10-13)9-16(24-17)12-4-2-6-14(8-12)19(20,21)22/h2-10H,1H3
InChIKeyNCNBRJRMTZEVOS-UHFFFAOYSA-N
XLogP5.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine with MolForge

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Related Compounds

7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544317
3-(4-Methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,3-b]pyridine
CID 1486353
3-(2,4-Dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3743953
3-(4-Methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3751880
[3-[5-(4-Fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
CID 134809613
5-(3,5-Difluorophenyl)-3-[difluoro(quinolin-6-yl)methyl]-[1,2]oxazolo[4,5-b]pyridine
CID 57691368
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
4-[1-[(4,4-Difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059878
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine (CID 134808016) is 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine is Cc1noc2c(-c3cccnc3)cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is NCNBRJRMTZEVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c1-11-17-18(26-25-11)15(13-5-3-7-23-10-13)9-16(24-17)12-4-2-6-14(8-12)19(20,21)22/h2-10H,1H3.
What are the key properties of 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine?
3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 355.32 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134808016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).