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

C21H15F3N2O2 — CID 134806963

IUPAC[3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
SMILESCc1noc2c(-c3cccc(CO)c3)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C21H15F3N2O2/c1-12-19-20(28-26-12)17(14-5-2-4-13(8-14)11-27)10-18(25-19)15-6-3-7-16(9-15)21(22,23)24/h2-10,27H,11H2,1H3
InChIKeyARUTTWVPLJQZJM-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.38
Rot. Bonds3

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

[3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol (PubChem CID 134806963) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
PubChem CID134806963
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name[3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
SMILESCc1noc2c(-c3cccc(CO)c3)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C21H15F3N2O2/c1-12-19-20(28-26-12)17(14-5-2-4-13(8-14)11-27)10-18(25-19)15-6-3-7-16(9-15)21(22,23)24/h2-10,27H,11H2,1H3
InChIKeyARUTTWVPLJQZJM-UHFFFAOYSA-N
XLogP5.38
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol?
The IUPAC name of [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol (CID 134806963) is [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol?
The canonical SMILES for [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol is Cc1noc2c(-c3cccc(CO)c3)cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol?
The InChIKey is ARUTTWVPLJQZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c1-12-19-20(28-26-12)17(14-5-2-4-13(8-14)11-27)10-18(25-19)15-6-3-7-16(9-15)21(22,23)24/h2-10,27H,11H2,1H3.
What are the key properties of [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol?
[3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol has a molecular weight of 384.36 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol is sourced from PubChem (CID 134806963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).