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

C23H33N3O3 — CID 42095450

IUPAC1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(CN3CCC(C(=O)N(CC)CC)CC3)c(C)o2)cc1
InChIInChI=1S/C23H33N3O3/c1-5-26(6-2)23(27)19-12-14-25(15-13-19)16-21-17(4)29-22(24-21)18-8-10-20(11-9-18)28-7-3/h8-11,19H,5-7,12-16H2,1-4H3
InChIKeyWVEQLSSCKJLNTG-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.13
Rot. Bonds8

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

1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide (PubChem CID 42095450) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
PubChem CID42095450
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(CN3CCC(C(=O)N(CC)CC)CC3)c(C)o2)cc1
InChIInChI=1S/C23H33N3O3/c1-5-26(6-2)23(27)19-12-14-25(15-13-19)16-21-17(4)29-22(24-21)18-8-10-20(11-9-18)28-7-3/h8-11,19H,5-7,12-16H2,1-4H3
InChIKeyWVEQLSSCKJLNTG-UHFFFAOYSA-N
XLogP4.13
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 42514309
(3R)-N,N-diethyl-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 42214496
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762222
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480
ethyl 2-[(2R)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42557347
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
N-[1-(4-butoxyphenyl)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20968872
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545
N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364569
1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20859767
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 4187317

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide (CID 42095450) is 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide is CCOc1ccc(-c2nc(CN3CCC(C(=O)N(CC)CC)CC3)c(C)o2)cc1.
What is the InChIKey of 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is WVEQLSSCKJLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-5-26(6-2)23(27)19-12-14-25(15-13-19)16-21-17(4)29-22(24-21)18-8-10-20(11-9-18)28-7-3/h8-11,19H,5-7,12-16H2,1-4H3.
What are the key properties of 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide?
1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 42095450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).