N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C20H28N4O3 — CID 72864451

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOCCN1CCC(CN(Cc2ccncc2)C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C20H28N4O3/c1-16-13-19(22-27-16)20(25)24(14-17-3-7-21-8-4-17)15-18-5-9-23(10-6-18)11-12-26-2/h3-4,7-8,13,18H,5-6,9-12,14-15H2,1-2H3
InChIKeyFWIDGZNJWZELQV-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.38
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 72864451) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID72864451
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOCCN1CCC(CN(Cc2ccncc2)C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C20H28N4O3/c1-16-13-19(22-27-16)20(25)24(14-17-3-7-21-8-4-17)15-18-5-9-23(10-6-18)11-12-26-2/h3-4,7-8,13,18H,5-6,9-12,14-15H2,1-2H3
InChIKeyFWIDGZNJWZELQV-UHFFFAOYSA-N
XLogP2.38
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72922993
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methylsulfanyl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 42394878
2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 43655885
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 51177762
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95283628
2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 72928763
[1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid
CID 19962147
N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95221283
N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 79720535
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 45225771
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 72864451) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is COCCN1CCC(CN(Cc2ccncc2)C(=O)c2cc(C)on2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FWIDGZNJWZELQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-16-13-19(22-27-16)20(25)24(14-17-3-7-21-8-4-17)15-18-5-9-23(10-6-18)11-12-26-2/h3-4,7-8,13,18H,5-6,9-12,14-15H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72864451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).