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

C20H15FN2O2 — CID 134809613

IUPAC[3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
SMILESCc1noc2c(-c3cccc(CO)c3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H15FN2O2/c1-12-19-20(25-23-12)17(15-4-2-3-13(9-15)11-24)10-18(22-19)14-5-7-16(21)8-6-14/h2-10,24H,11H2,1H3
InChIKeyDTGOOPQEIHINDX-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.50
Rot. Bonds3

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

[3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol (PubChem CID 134809613) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
PubChem CID134809613
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name[3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
SMILESCc1noc2c(-c3cccc(CO)c3)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H15FN2O2/c1-12-19-20(25-23-12)17(15-4-2-3-13(9-15)11-24)10-18(22-19)14-5-7-16(21)8-6-14/h2-10,24H,11H2,1H3
InChIKeyDTGOOPQEIHINDX-UHFFFAOYSA-N
XLogP4.50
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
N-(2-methoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804920
3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804957
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
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
4-[[5-(4-Fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]cyclohexan-1-ol
CID 134808022
N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine
CID 134809303
N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809319
3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809636
4-[[5-(4-Fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide
CID 134811220

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol?
The IUPAC name of [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol (CID 134809613) is [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol?
The canonical SMILES for [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol is Cc1noc2c(-c3cccc(CO)c3)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol?
The InChIKey is DTGOOPQEIHINDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-12-19-20(25-23-12)17(15-4-2-3-13(9-15)11-24)10-18(22-19)14-5-7-16(21)8-6-14/h2-10,24H,11H2,1H3.
What are the key properties of [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol?
[3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol has a molecular weight of 334.35 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol is sourced from PubChem (CID 134809613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).