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

C19H13FN2O2 — CID 89478777

IUPAC3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole
SMILESCOc1ccncc1-c1cccc2c(-c3ccc(F)cc3)noc12
InChIInChI=1S/C19H13FN2O2/c1-23-17-9-10-21-11-16(17)14-3-2-4-15-18(22-24-19(14)15)12-5-7-13(20)8-6-12/h2-11H,1H3
InChIKeyBZOXRGBNZYQHGW-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.70
Rot. Bonds3

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

3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole (PubChem CID 89478777) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole
PubChem CID89478777
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole
SMILESCOc1ccncc1-c1cccc2c(-c3ccc(F)cc3)noc12
InChIInChI=1S/C19H13FN2O2/c1-23-17-9-10-21-11-16(17)14-3-2-4-15-18(22-24-19(14)15)12-5-7-13(20)8-6-12/h2-11H,1H3
InChIKeyBZOXRGBNZYQHGW-UHFFFAOYSA-N
XLogP4.70
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole?
The IUPAC name of 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole (CID 89478777) is 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole?
The canonical SMILES for 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole is COc1ccncc1-c1cccc2c(-c3ccc(F)cc3)noc12.
What is the InChIKey of 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole?
The InChIKey is BZOXRGBNZYQHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c1-23-17-9-10-21-11-16(17)14-3-2-4-15-18(22-24-19(14)15)12-5-7-13(20)8-6-12/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole?
3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole has a molecular weight of 320.32 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-(4-methoxy-3-pyridinyl)-1,2-benzoxazole is sourced from PubChem (CID 89478777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).