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

C14H9F2NO — CID 82232090

IUPAC5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(F)cc(F)c3o2)cc1
InChIInChI=1S/C14H9F2NO/c1-8-2-4-9(5-3-8)14-17-12-7-10(15)6-11(16)13(12)18-14/h2-7H,1H3
InChIKeyBYFGPTZLIZINLB-UHFFFAOYSA-N
MW245.23 g/mol
LogP4.08
Rot. Bonds1

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

5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 82232090) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole
PubChem CID82232090
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(F)cc(F)c3o2)cc1
InChIInChI=1S/C14H9F2NO/c1-8-2-4-9(5-3-8)14-17-12-7-10(15)6-11(16)13(12)18-14/h2-7H,1H3
InChIKeyBYFGPTZLIZINLB-UHFFFAOYSA-N
XLogP4.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-difluoro-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 82233017
7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82095604
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531011
7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 82231372
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 94980518
7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
CID 91674847
7-methyl-2-(4-methylphenyl)-5-nitro-1,3-benzoxazole
CID 71296730
5,7-dimethyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole
CID 100817845
2-(4-tert-butylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 71242093
7-bromo-2-(3-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 82095605

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole (CID 82232090) is 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole is Cc1ccc(-c2nc3cc(F)cc(F)c3o2)cc1.
What is the InChIKey of 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is BYFGPTZLIZINLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c1-8-2-4-9(5-3-8)14-17-12-7-10(15)6-11(16)13(12)18-14/h2-7H,1H3.
What are the key properties of 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole?
5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 245.23 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 82232090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).