3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide

C25H18ClFN4O2 — CID 21088524

IUPAC3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C25H18ClFN4O2/c26-17-7-5-16(6-8-17)24-22(13-14-23(32)29-19-11-9-18(27)10-12-19)33-25(30-24)31-15-28-20-3-1-2-4-21(20)31/h1-12,15H,13-14H2,(H,29,32)
InChIKeyIGNBTJIPHUTFKF-UHFFFAOYSA-N
MW460.90 g/mol
LogP6.04
Rot. Bonds6

About 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide

3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 21088524) has the molecular formula C25H18ClFN4O2 and a molecular weight of 460.90 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide
PubChem CID21088524
Molecular FormulaC25H18ClFN4O2
Molecular Weight460.90 g/mol
Exact Mass460.11
IUPAC Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C25H18ClFN4O2/c26-17-7-5-16(6-8-17)24-22(13-14-23(32)29-19-11-9-18(27)10-12-19)33-25(30-24)31-15-28-20-3-1-2-4-21(20)31/h1-12,15H,13-14H2,(H,29,32)
InChIKeyIGNBTJIPHUTFKF-UHFFFAOYSA-N
XLogP6.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.90
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide (CID 21088524) is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide is O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is IGNBTJIPHUTFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O2/c26-17-7-5-16(6-8-17)24-22(13-14-23(32)29-19-11-9-18(27)10-12-19)33-25(30-24)31-15-28-20-3-1-2-4-21(20)31/h1-12,15H,13-14H2,(H,29,32).
What are the key properties of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide?
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 460.90 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 21088524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).