5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole

C14H9F2NO2 — CID 82233017

IUPAC5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(F)cc(F)c3o2)cc1
InChIInChI=1S/C14H9F2NO2/c1-18-10-4-2-8(3-5-10)14-17-12-7-9(15)6-11(16)13(12)19-14/h2-7H,1H3
InChIKeyRHTDZTVVEWAEAK-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.78
Rot. Bonds2

About 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole

5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole (PubChem CID 82233017) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
PubChem CID82233017
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(F)cc(F)c3o2)cc1
InChIInChI=1S/C14H9F2NO2/c1-18-10-4-2-8(3-5-10)14-17-12-7-9(15)6-11(16)13(12)19-14/h2-7H,1H3
InChIKeyRHTDZTVVEWAEAK-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

Analyze 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82232090
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
CID 56687162
7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82095604
5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbonitrile
CID 22144541
[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
CID 76851593
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
ethane;2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazole
CID 145409461
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
4-(7-bromo-5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50849277
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carbaldehyde;5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbaldehyde
CID 159318497
7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 82231372

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole?
The IUPAC name of 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole (CID 82233017) is 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole is COc1ccc(-c2nc3cc(F)cc(F)c3o2)cc1.
What is the InChIKey of 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole?
The InChIKey is RHTDZTVVEWAEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2/c1-18-10-4-2-8(3-5-10)14-17-12-7-9(15)6-11(16)13(12)19-14/h2-7H,1H3.
What are the key properties of 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole?
5,7-difluoro-2-(4-methoxyphenyl)-1,3-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 5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 82233017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).