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

C16H23N5O2S — CID 56751085

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)NCCc3nccs3)no2)CC1
InChIInChI=1S/C16H23N5O2S/c1-2-20-6-8-21(9-7-20)12-13-11-14(19-23-13)16(22)18-4-3-15-17-5-10-24-15/h5,10-11H,2-4,6-9,12H2,1H3,(H,18,22)
InChIKeyFYBDHSVXHYURPA-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.24
Rot. Bonds7

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

5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 56751085) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID56751085
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(Cc2cc(C(=O)NCCc3nccs3)no2)CC1
InChIInChI=1S/C16H23N5O2S/c1-2-20-6-8-21(9-7-20)12-13-11-14(19-23-13)16(22)18-4-3-15-17-5-10-24-15/h5,10-11H,2-4,6-9,12H2,1H3,(H,18,22)
InChIKeyFYBDHSVXHYURPA-UHFFFAOYSA-N
XLogP1.24
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56707005
5-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 56741147
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56706860
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56722266
N-[2-(4-ethoxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950937
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-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56718229
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 110461892
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95213339
5-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95205594
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56705841
N-[2-(cyclohexen-1-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950917

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 56751085) is 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is CCN1CCN(Cc2cc(C(=O)NCCc3nccs3)no2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FYBDHSVXHYURPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-2-20-6-8-21(9-7-20)12-13-11-14(19-23-13)16(22)18-4-3-15-17-5-10-24-15/h5,10-11H,2-4,6-9,12H2,1H3,(H,18,22).
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56751085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).