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

C17H24N4O2S — CID 56705841

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)N(C)Cc3ccsc3)no2)CC1
InChIInChI=1S/C17H24N4O2S/c1-3-20-5-7-21(8-6-20)12-15-10-16(18-23-15)17(22)19(2)11-14-4-9-24-13-14/h4,9-10,13H,3,5-8,11-12H2,1-2H3
InChIKeyHOSULZQTNUZQKB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.15
Rot. Bonds6

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

5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56705841) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID56705841
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)N(C)Cc3ccsc3)no2)CC1
InChIInChI=1S/C17H24N4O2S/c1-3-20-5-7-21(8-6-20)12-15-10-16(18-23-15)17(22)19(2)11-14-4-9-24-13-14/h4,9-10,13H,3,5-8,11-12H2,1-2H3
InChIKeyHOSULZQTNUZQKB-UHFFFAOYSA-N
XLogP2.15
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
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-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95213339
N-methyl-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56741639
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]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95203947
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56712236
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95229433
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404
6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302
5-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 56741147
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56706921
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56758608

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 56705841) is 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide is CCN1CCN(Cc2cc(C(=O)N(C)Cc3ccsc3)no2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HOSULZQTNUZQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-20-5-7-21(8-6-20)12-15-10-16(18-23-15)17(22)19(2)11-14-4-9-24-13-14/h4,9-10,13H,3,5-8,11-12H2,1-2H3.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.15, 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-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56705841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).