5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole

C15H9ClFN3OS — CID 141101523

IUPAC5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole
SMILESFc1ccc2c(c1)ncn2Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C15H9ClFN3OS/c16-15-4-3-14(22-15)13-6-10(19-21-13)7-20-8-18-11-5-9(17)1-2-12(11)20/h1-6,8H,7H2
InChIKeyXIWLBFDZIXULTG-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.59
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole

5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole (PubChem CID 141101523) has the molecular formula C15H9ClFN3OS and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole
PubChem CID141101523
Molecular FormulaC15H9ClFN3OS
Molecular Weight333.78 g/mol
Exact Mass333.01
IUPAC Name5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole
SMILESFc1ccc2c(c1)ncn2Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C15H9ClFN3OS/c16-15-4-3-14(22-15)13-6-10(19-21-13)7-20-8-18-11-5-9(17)1-2-12(11)20/h1-6,8H,7H2
InChIKeyXIWLBFDZIXULTG-UHFFFAOYSA-N
XLogP4.59
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole (CID 141101523) is 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole is Fc1ccc2c(c1)ncn2Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is XIWLBFDZIXULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3OS/c16-15-4-3-14(22-15)13-6-10(19-21-13)7-20-8-18-11-5-9(17)1-2-12(11)20/h1-6,8H,7H2.
What are the key properties of 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole?
5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 333.78 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-3-[(5-fluorobenzimidazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 141101523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).