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

C27H32ClN3O2 — CID 6622240

IUPAC1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC(C)CCc2ccccc2)CC1
InChIInChI=1S/C27H32ClN3O2/c1-19(8-9-21-6-4-3-5-7-21)29-26(32)22-14-16-31(17-15-22)18-25-20(2)33-27(30-25)23-10-12-24(28)13-11-23/h3-7,10-13,19,22H,8-9,14-18H2,1-2H3,(H,29,32)
InChIKeyZXMCHSCOXMYSFV-UHFFFAOYSA-N
MW466.03 g/mol
LogP5.65
Rot. Bonds8

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

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 6622240) has the molecular formula C27H32ClN3O2 and a molecular weight of 466.03 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
PubChem CID6622240
Molecular FormulaC27H32ClN3O2
Molecular Weight466.03 g/mol
Exact Mass465.22
IUPAC Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC(C)CCc2ccccc2)CC1
InChIInChI=1S/C27H32ClN3O2/c1-19(8-9-21-6-4-3-5-7-21)29-26(32)22-14-16-31(17-15-22)18-25-20(2)33-27(30-25)23-10-12-24(28)13-11-23/h3-7,10-13,19,22H,8-9,14-18H2,1-2H3,(H,29,32)
InChIKeyZXMCHSCOXMYSFV-UHFFFAOYSA-N
XLogP5.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.03
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (CID 6622240) is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC(C)CCc2ccccc2)CC1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is ZXMCHSCOXMYSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O2/c1-19(8-9-21-6-4-3-5-7-21)29-26(32)22-14-16-31(17-15-22)18-25-20(2)33-27(30-25)23-10-12-24(28)13-11-23/h3-7,10-13,19,22H,8-9,14-18H2,1-2H3,(H,29,32).
What are the key properties of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 466.03 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6622240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).