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

C24H32BrN3O2 — CID 20859872

IUPAC1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NC2CCCCC2C)CC1
InChIInChI=1S/C24H32BrN3O2/c1-16-6-3-4-9-21(16)26-23(29)18-10-12-28(13-11-18)15-22-17(2)30-24(27-22)19-7-5-8-20(25)14-19/h5,7-8,14,16,18,21H,3-4,6,9-13,15H2,1-2H3,(H,26,29)
InChIKeyLGMBVDGBBAEPBH-UHFFFAOYSA-N
MW474.44 g/mol
LogP5.32
Rot. Bonds5

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

1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 20859872) has the molecular formula C24H32BrN3O2 and a molecular weight of 474.44 g/mol. Its IUPAC name is 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID20859872
Molecular FormulaC24H32BrN3O2
Molecular Weight474.44 g/mol
Exact Mass473.17
IUPAC Name1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NC2CCCCC2C)CC1
InChIInChI=1S/C24H32BrN3O2/c1-16-6-3-4-9-21(16)26-23(29)18-10-12-28(13-11-18)15-22-17(2)30-24(27-22)19-7-5-8-20(25)14-19/h5,7-8,14,16,18,21H,3-4,6,9-13,15H2,1-2H3,(H,26,29)
InChIKeyLGMBVDGBBAEPBH-UHFFFAOYSA-N
XLogP5.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 55.32
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
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide
CID 92662420
(3S)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124772002
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110416327
N-(2-methylcyclohexyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857733
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-cyclooctylpiperidine-3-carboxamide
CID 20859982
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
CID 162740997
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545
[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 42567137
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 38146443

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide (CID 20859872) is 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide is Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NC2CCCCC2C)CC1.
What is the InChIKey of 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is LGMBVDGBBAEPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN3O2/c1-16-6-3-4-9-21(16)26-23(29)18-10-12-28(13-11-18)15-22-17(2)30-24(27-22)19-7-5-8-20(25)14-19/h5,7-8,14,16,18,21H,3-4,6,9-13,15H2,1-2H3,(H,26,29).
What are the key properties of 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 20859872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).