4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

C15H22N6O2 — CID 128995946

IUPAC4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2nocc2C)CC1c1nccn1C
InChIInChI=1S/C15H22N6O2/c1-4-20-7-8-21(9-12(20)14-16-5-6-19(14)3)15(22)17-13-11(2)10-23-18-13/h5-6,10,12H,4,7-9H2,1-3H3,(H,17,18,22)
InChIKeyJOAMDALNYGLSGG-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.63
Rot. Bonds3

About 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 128995946) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID128995946
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2nocc2C)CC1c1nccn1C
InChIInChI=1S/C15H22N6O2/c1-4-20-7-8-21(9-12(20)14-16-5-6-19(14)3)15(22)17-13-11(2)10-23-18-13/h5-6,10,12H,4,7-9H2,1-3H3,(H,17,18,22)
InChIKeyJOAMDALNYGLSGG-UHFFFAOYSA-N
XLogP1.63
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129006019
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
(3S)-4-ethyl-N-(furan-3-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129331566
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129328537
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 129331274
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
CID 128997527
(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129327735

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 128995946) is 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)Nc2nocc2C)CC1c1nccn1C.
What is the InChIKey of 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is JOAMDALNYGLSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-20-7-8-21(9-12(20)14-16-5-6-19(14)3)15(22)17-13-11(2)10-23-18-13/h5-6,10,12H,4,7-9H2,1-3H3,(H,17,18,22).
What are the key properties of 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 128995946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).