3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole

C19H13FN2O — CID 71544317

IUPAC3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(-c3ccc(F)cc3)noc12
InChIInChI=1S/C19H13FN2O/c1-12-9-10-21-11-17(12)15-3-2-4-16-18(22-23-19(15)16)13-5-7-14(20)8-6-13/h2-11H,1H3
InChIKeyZMKFGESVHOZLLO-UHFFFAOYSA-N
MW304.32 g/mol
LogP5.00
Rot. Bonds2

About 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole

3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (PubChem CID 71544317) has the molecular formula C19H13FN2O and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
PubChem CID71544317
Molecular FormulaC19H13FN2O
Molecular Weight304.32 g/mol
Exact Mass304.10
IUPAC Name3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(-c3ccc(F)cc3)noc12
InChIInChI=1S/C19H13FN2O/c1-12-9-10-21-11-17(12)15-3-2-4-16-18(22-23-19(15)16)13-5-7-14(20)8-6-13/h2-11H,1H3
InChIKeyZMKFGESVHOZLLO-UHFFFAOYSA-N
XLogP5.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.32
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 141745660
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
3-{3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidyl]propyl}-2-methylindole
CID 13078390
5-fluoro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 13078397
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
(R)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-(4-(trifluoromethyl)phenyl)butan-2-amine
CID 46880294
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736090
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736091
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736095
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)ethyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736099
US10745401, Example 4
CID 146344053

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The IUPAC name of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (CID 71544317) is 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The canonical SMILES for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is Cc1ccncc1-c1cccc2c(-c3ccc(F)cc3)noc12.
What is the InChIKey of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The InChIKey is ZMKFGESVHOZLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O/c1-12-9-10-21-11-17(12)15-3-2-4-16-18(22-23-19(15)16)13-5-7-14(20)8-6-13/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole has a molecular weight of 304.32 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is sourced from PubChem (CID 71544317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).