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

C24H33ClN4O3 — CID 3235876

IUPAC1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C24H33ClN4O3/c1-18-22(27-24(32-18)20-3-5-21(25)6-4-20)17-29-11-7-19(8-12-29)23(30)26-9-2-10-28-13-15-31-16-14-28/h3-6,19H,2,7-17H2,1H3,(H,26,30)
InChIKeyBEDWAXDWZAFXKE-UHFFFAOYSA-N
MW461.01 g/mol
LogP3.35
Rot. Bonds8

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

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 3235876) has the molecular formula C24H33ClN4O3 and a molecular weight of 461.01 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID3235876
Molecular FormulaC24H33ClN4O3
Molecular Weight461.01 g/mol
Exact Mass460.22
IUPAC Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C24H33ClN4O3/c1-18-22(27-24(32-18)20-3-5-21(25)6-4-20)17-29-11-7-19(8-12-29)23(30)26-9-2-10-28-13-15-31-16-14-28/h3-6,19H,2,7-17H2,1H3,(H,26,30)
InChIKeyBEDWAXDWZAFXKE-UHFFFAOYSA-N
XLogP3.35
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 3235876) is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is BEDWAXDWZAFXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O3/c1-18-22(27-24(32-18)20-3-5-21(25)6-4-20)17-29-11-7-19(8-12-29)23(30)26-9-2-10-28-13-15-31-16-14-28/h3-6,19H,2,7-17H2,1H3,(H,26,30).
What are the key properties of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 461.01 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3235876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).