5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide

C19H33N5O2 — CID 95229433

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)N(C)C[C@H]3CCCCN3C)no2)CC1
InChIInChI=1S/C19H33N5O2/c1-4-23-9-11-24(12-10-23)15-17-13-18(20-26-17)19(25)22(3)14-16-7-5-6-8-21(16)2/h13,16H,4-12,14-15H2,1-3H3/t16-/m1/s1
InChIKeyDBFIKIALINPINH-MRXNPFEDSA-N
MW363.51 g/mol
LogP1.37
Rot. Bonds6

About 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide

5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 95229433) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID95229433
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)N(C)C[C@H]3CCCCN3C)no2)CC1
InChIInChI=1S/C19H33N5O2/c1-4-23-9-11-24(12-10-23)15-17-13-18(20-26-17)19(25)22(3)14-16-7-5-6-8-21(16)2/h13,16H,4-12,14-15H2,1-3H3/t16-/m1/s1
InChIKeyDBFIKIALINPINH-MRXNPFEDSA-N
XLogP1.37
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95203947
5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56722665
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56713380
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95213339
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 56752673
N-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95216881
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56705841
N-(1H-benzimidazol-2-ylmethyl)-5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 56722644
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 56747395
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 95208087
5-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 56741147
4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 79304547

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 95229433) is 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide is CCN1CCN(Cc2cc(C(=O)N(C)C[C@H]3CCCCN3C)no2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DBFIKIALINPINH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-4-23-9-11-24(12-10-23)15-17-13-18(20-26-17)19(25)22(3)14-16-7-5-6-8-21(16)2/h13,16H,4-12,14-15H2,1-3H3/t16-/m1/s1.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95229433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).