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

C24H24ClN5O2 — CID 71214447

IUPAC3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NC1CCNCC1
InChIInChI=1S/C24H24ClN5O2/c25-17-7-5-16(6-8-17)23-21(9-10-22(31)28-18-11-13-26-14-12-18)32-24(29-23)30-15-27-19-3-1-2-4-20(19)30/h1-8,15,18,26H,9-14H2,(H,28,31)
InChIKeyCZCGZTLJDHIVJO-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.13
Rot. Bonds6

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

3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide (PubChem CID 71214447) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide
PubChem CID71214447
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide
SMILESO=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NC1CCNCC1
InChIInChI=1S/C24H24ClN5O2/c25-17-7-5-16(6-8-17)23-21(9-10-22(31)28-18-11-13-26-14-12-18)32-24(29-23)30-15-27-19-3-1-2-4-20(19)30/h1-8,15,18,26H,9-14H2,(H,28,31)
InChIKeyCZCGZTLJDHIVJO-UHFFFAOYSA-N
XLogP4.13
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.13
H-Bond Donors ≤ 52
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-piperidin-4-ylpropanamide?
The IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide (CID 71214447) is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide is O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)NC1CCNCC1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide?
The InChIKey is CZCGZTLJDHIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c25-17-7-5-16(6-8-17)23-21(9-10-22(31)28-18-11-13-26-14-12-18)32-24(29-23)30-15-27-19-3-1-2-4-20(19)30/h1-8,15,18,26H,9-14H2,(H,28,31).
What are the key properties of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide?
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide has a molecular weight of 449.94 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 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-piperidin-4-ylpropanamide is sourced from PubChem (CID 71214447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).