6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole

C18H12FNOS — CID 23025967

IUPAC6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3ccc(-c4ccccc4F)cc3o2)s1
InChIInChI=1S/C18H12FNOS/c1-11-6-9-17(22-11)18-20-15-8-7-12(10-16(15)21-18)13-4-2-3-5-14(13)19/h2-10H,1H3
InChIKeySJMLTFDNXMWHSR-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.67
Rot. Bonds2

About 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole

6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole (PubChem CID 23025967) has the molecular formula C18H12FNOS and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole
PubChem CID23025967
Molecular FormulaC18H12FNOS
Molecular Weight309.37 g/mol
Exact Mass309.06
IUPAC Name6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3ccc(-c4ccccc4F)cc3o2)s1
InChIInChI=1S/C18H12FNOS/c1-11-6-9-17(22-11)18-20-15-8-7-12(10-16(15)21-18)13-4-2-3-5-14(13)19/h2-10H,1H3
InChIKeySJMLTFDNXMWHSR-UHFFFAOYSA-N
XLogP5.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole?
The IUPAC name of 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole (CID 23025967) is 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole is Cc1ccc(-c2nc3ccc(-c4ccccc4F)cc3o2)s1.
What is the InChIKey of 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole?
The InChIKey is SJMLTFDNXMWHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNOS/c1-11-6-9-17(22-11)18-20-15-8-7-12(10-16(15)21-18)13-4-2-3-5-14(13)19/h2-10H,1H3.
What are the key properties of 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole?
6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole has a molecular weight of 309.37 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 23025967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).