3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole

C14H9F2NO2 — CID 14012541

IUPAC3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole
SMILESCOc1ccc2c(-c3cc(F)ccc3F)noc2c1
InChIInChI=1S/C14H9F2NO2/c1-18-9-3-4-10-13(7-9)19-17-14(10)11-6-8(15)2-5-12(11)16/h2-7H,1H3
InChIKeyYGSXCMPOYNJIPW-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.78
Rot. Bonds2

About 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole

3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole (PubChem CID 14012541) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole
PubChem CID14012541
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole
SMILESCOc1ccc2c(-c3cc(F)ccc3F)noc2c1
InChIInChI=1S/C14H9F2NO2/c1-18-9-3-4-10-13(7-9)19-17-14(10)11-6-8(15)2-5-12(11)16/h2-7H,1H3
InChIKeyYGSXCMPOYNJIPW-UHFFFAOYSA-N
XLogP3.78
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole?
The IUPAC name of 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole (CID 14012541) is 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole is COc1ccc2c(-c3cc(F)ccc3F)noc2c1.
What is the InChIKey of 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole?
The InChIKey is YGSXCMPOYNJIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2/c1-18-9-3-4-10-13(7-9)19-17-14(10)11-6-8(15)2-5-12(11)16/h2-7H,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole?
3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole has a molecular weight of 261.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-6-methoxy-1,2-benzoxazole is sourced from PubChem (CID 14012541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).