4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole

C19H16FN3O2 — CID 56756915

IUPAC4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(Cn3cnc4ccccc43)c(C)o2)c1
InChIInChI=1S/C19H16FN3O2/c1-12-17(10-23-11-21-16-5-3-4-6-18(16)23)22-19(25-12)14-9-13(24-2)7-8-15(14)20/h3-9,11H,10H2,1-2H3
InChIKeyDHYNCGUJUQNAJU-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.20
Rot. Bonds4

About 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole

4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 56756915) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID56756915
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(Cn3cnc4ccccc43)c(C)o2)c1
InChIInChI=1S/C19H16FN3O2/c1-12-17(10-23-11-21-16-5-3-4-6-18(16)23)22-19(25-12)14-9-13(24-2)7-8-15(14)20/h3-9,11H,10H2,1-2H3
InChIKeyDHYNCGUJUQNAJU-UHFFFAOYSA-N
XLogP4.20
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole (CID 56756915) is 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole is COc1ccc(F)c(-c2nc(Cn3cnc4ccccc43)c(C)o2)c1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is DHYNCGUJUQNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-17(10-23-11-21-16-5-3-4-6-18(16)23)22-19(25-12)14-9-13(24-2)7-8-15(14)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole?
4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 337.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 56756915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).