3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole

C16H10FN3O — CID 167440359

IUPAC3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3nc4ccccc4[nH]3)no2)cc1
InChIInChI=1S/C16H10FN3O/c17-11-7-5-10(6-8-11)15-9-14(20-21-15)16-18-12-3-1-2-4-13(12)19-16/h1-9H,(H,18,19)
InChIKeyLGSFLSRRZNVCLH-UHFFFAOYSA-N
MW279.27 g/mol
LogP4.02
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole

3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole (PubChem CID 167440359) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole
PubChem CID167440359
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3nc4ccccc4[nH]3)no2)cc1
InChIInChI=1S/C16H10FN3O/c17-11-7-5-10(6-8-11)15-9-14(20-21-15)16-18-12-3-1-2-4-13(12)19-16/h1-9H,(H,18,19)
InChIKeyLGSFLSRRZNVCLH-UHFFFAOYSA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole (CID 167440359) is 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole is Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)no2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole?
The InChIKey is LGSFLSRRZNVCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-11-7-5-10(6-8-11)15-9-14(20-21-15)16-18-12-3-1-2-4-13(12)19-16/h1-9H,(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole?
3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole has a molecular weight of 279.27 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 167440359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).