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

C15H26N4O3 — CID 95213339

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)N(C)C[C@@H](C)O)no2)CC1
InChIInChI=1S/C15H26N4O3/c1-4-18-5-7-19(8-6-18)11-13-9-14(16-22-13)15(21)17(3)10-12(2)20/h9,12,20H,4-8,10-11H2,1-3H3/t12-/m1/s1
InChIKeyXKBZBICWNHWOJG-GFCCVEGCSA-N
MW310.40 g/mol
LogP0.26
Rot. Bonds6

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

5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 95213339) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID95213339
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)N(C)C[C@@H](C)O)no2)CC1
InChIInChI=1S/C15H26N4O3/c1-4-18-5-7-19(8-6-18)11-13-9-14(16-22-13)15(21)17(3)10-12(2)20/h9,12,20H,4-8,10-11H2,1-3H3/t12-/m1/s1
InChIKeyXKBZBICWNHWOJG-GFCCVEGCSA-N
XLogP0.26
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 56752673
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56705841
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95203947
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95229433
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2S)-5-methylhexan-2-yl]-1,2-oxazole-3-carboxamide
CID 95216294
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 56747395
N-(1H-benzimidazol-2-ylmethyl)-5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 56722644
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone
CID 95199241
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
5-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 56741147
N-methyl-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56741639
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 95213339) is 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide is CCN1CCN(Cc2cc(C(=O)N(C)C[C@@H](C)O)no2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is XKBZBICWNHWOJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-18-5-7-19(8-6-18)11-13-9-14(16-22-13)15(21)17(3)10-12(2)20/h9,12,20H,4-8,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide?
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95213339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).