1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

C24H33N3O3 — CID 122175271

IUPAC1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCCC(C(=O)NCC4CCCO4)C3)c(C)o2)cc1
InChIInChI=1S/C24H33N3O3/c1-3-18-8-10-19(11-9-18)24-26-22(17(2)30-24)16-27-12-4-6-20(15-27)23(28)25-14-21-7-5-13-29-21/h8-11,20-21H,3-7,12-16H2,1-2H3,(H,25,28)
InChIKeyVORQPFSVWKYVRF-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.72
Rot. Bonds7

About 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 122175271) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID122175271
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCCC(C(=O)NCC4CCCO4)C3)c(C)o2)cc1
InChIInChI=1S/C24H33N3O3/c1-3-18-8-10-19(11-9-18)24-26-22(17(2)30-24)16-27-12-4-6-20(15-27)23(28)25-14-21-7-5-13-29-21/h8-11,20-21H,3-7,12-16H2,1-2H3,(H,25,28)
InChIKeyVORQPFSVWKYVRF-UHFFFAOYSA-N
XLogP3.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
(3R)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,2-diethoxyethyl)piperidine-3-carboxamide
CID 92662431
N-butyl-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859867
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
(3S)-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124772002
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 43930797
[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24791417
4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 50800086
N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20918051
N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20859955

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 122175271) is 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is CCc1ccc(-c2nc(CN3CCCC(C(=O)NCC4CCCO4)C3)c(C)o2)cc1.
What is the InChIKey of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is VORQPFSVWKYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-3-18-8-10-19(11-9-18)24-26-22(17(2)30-24)16-27-12-4-6-20(15-27)23(28)25-14-21-7-5-13-29-21/h8-11,20-21H,3-7,12-16H2,1-2H3,(H,25,28).
What are the key properties of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 122175271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).