4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide

C23H32ClN3O2 — CID 24856196

IUPAC4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1(CC2CC(c3ccc(Cl)cc3)=NO2)CCNCC1
InChIInChI=1S/C23H32ClN3O2/c24-19-8-6-18(7-9-19)21-14-20(29-27-21)15-23(10-12-25-13-11-23)22(28)26-16-17-4-2-1-3-5-17/h6-9,17,20,25H,1-5,10-16H2,(H,26,28)
InChIKeyQWWQXOSOWSEZBY-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.29
Rot. Bonds6

About 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide

4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide (PubChem CID 24856196) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
PubChem CID24856196
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC Name4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCCC1)C1(CC2CC(c3ccc(Cl)cc3)=NO2)CCNCC1
InChIInChI=1S/C23H32ClN3O2/c24-19-8-6-18(7-9-19)21-14-20(29-27-21)15-23(10-12-25-13-11-23)22(28)26-16-17-4-2-1-3-5-17/h6-9,17,20,25H,1-5,10-16H2,(H,26,28)
InChIKeyQWWQXOSOWSEZBY-UHFFFAOYSA-N
XLogP4.29
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide (CID 24856196) is 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCCC1)C1(CC2CC(c3ccc(Cl)cc3)=NO2)CCNCC1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
The InChIKey is QWWQXOSOWSEZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O2/c24-19-8-6-18(7-9-19)21-14-20(29-27-21)15-23(10-12-25-13-11-23)22(28)26-16-17-4-2-1-3-5-17/h6-9,17,20,25H,1-5,10-16H2,(H,26,28).
What are the key properties of 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide?
4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide has a molecular weight of 417.98 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24856196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).