N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide

C21H29N3O4 — CID 136524976

IUPACN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)c(OC)c1
InChIInChI=1S/C21H29N3O4/c1-14-15(2)28-20(23-14)13-24-9-7-16(8-10-24)12-22-21(25)18-6-5-17(26-3)11-19(18)27-4/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,25)
InChIKeyONHOOOLZGTXKDS-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.95
Rot. Bonds7

About N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide (PubChem CID 136524976) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide
PubChem CID136524976
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)c(OC)c1
InChIInChI=1S/C21H29N3O4/c1-14-15(2)28-20(23-14)13-24-9-7-16(8-10-24)12-22-21(25)18-6-5-17(26-3)11-19(18)27-4/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,25)
InChIKeyONHOOOLZGTXKDS-UHFFFAOYSA-N
XLogP2.95
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 122137114
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 56787262
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71879030
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 136524951
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 136519450
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 86825551
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119884318
2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670295
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106132134
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 126774062
2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 94333445

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide (CID 136524976) is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)c(OC)c1.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide?
The InChIKey is ONHOOOLZGTXKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-14-15(2)28-20(23-14)13-24-9-7-16(8-10-24)12-22-21(25)18-6-5-17(26-3)11-19(18)27-4/h5-6,11,16H,7-10,12-13H2,1-4H3,(H,22,25).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide?
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide has a molecular weight of 387.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 136524976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).