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

C25H34ClN3O2 — CID 20859982

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C25H34ClN3O2/c1-18-23(28-25(31-18)19-9-7-11-21(26)15-19)17-29-14-8-10-20(16-29)24(30)27-22-12-5-3-2-4-6-13-22/h7,9,11,15,20,22H,2-6,8,10,12-14,16-17H2,1H3,(H,27,30)
InChIKeyLRNYIUKQDXTQOQ-UHFFFAOYSA-N
MW444.02 g/mol
LogP5.74
Rot. Bonds5

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

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide (PubChem CID 20859982) has the molecular formula C25H34ClN3O2 and a molecular weight of 444.02 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
PubChem CID20859982
Molecular FormulaC25H34ClN3O2
Molecular Weight444.02 g/mol
Exact Mass443.23
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C25H34ClN3O2/c1-18-23(28-25(31-18)19-9-7-11-21(26)15-19)17-29-14-8-10-20(16-29)24(30)27-22-12-5-3-2-4-6-13-22/h7,9,11,15,20,22H,2-6,8,10,12-14,16-17H2,1H3,(H,27,30)
InChIKeyLRNYIUKQDXTQOQ-UHFFFAOYSA-N
XLogP5.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.02
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
CID 20859995
N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860021
(3S)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124772002
(3R)-N-[(2-chlorophenyl)methyl]-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 92662505
(3R)-1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 98211294
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
CID 46344154
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
1-[[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 56760356
(3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide
CID 92662431
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide (CID 20859982) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NC2CCCCCCC2)C1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide?
The InChIKey is LRNYIUKQDXTQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O2/c1-18-23(28-25(31-18)19-9-7-11-21(26)15-19)17-29-14-8-10-20(16-29)24(30)27-22-12-5-3-2-4-6-13-22/h7,9,11,15,20,22H,2-6,8,10,12-14,16-17H2,1H3,(H,27,30).
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide has a molecular weight of 444.02 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide is sourced from PubChem (CID 20859982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).