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

C25H20ClN5O2 — CID 21088494

IUPAC3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C25H20ClN5O2/c26-18-10-8-17(9-11-18)24-22(12-13-23(32)28-15-19-5-3-4-14-27-19)33-25(30-24)31-16-29-20-6-1-2-7-21(20)31/h1-11,14,16H,12-13,15H2,(H,28,32)
InChIKeyATGGVUFEKNSNEJ-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.98
Rot. Bonds7

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

3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 21088494) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID21088494
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C25H20ClN5O2/c26-18-10-8-17(9-11-18)24-22(12-13-23(32)28-15-19-5-3-4-14-27-19)33-25(30-24)31-16-29-20-6-1-2-7-21(20)31/h1-11,14,16H,12-13,15H2,(H,28,32)
InChIKeyATGGVUFEKNSNEJ-UHFFFAOYSA-N
XLogP4.98
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 21088494) is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide is O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NCc1ccccn1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is ATGGVUFEKNSNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c26-18-10-8-17(9-11-18)24-22(12-13-23(32)28-15-19-5-3-4-14-27-19)33-25(30-24)31-16-29-20-6-1-2-7-21(20)31/h1-11,14,16H,12-13,15H2,(H,28,32).
What are the key properties of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 457.92 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 21088494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).