2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H20N4O3 — CID 51242524

IUPAC2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)N1CCN(C(C)C(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C13H20N4O3/c1-9-8-12(15-20-9)14-13(19)10(2)16-4-6-17(7-5-16)11(3)18/h8,10H,4-7H2,1-3H3,(H,14,15,19)
InChIKeyUPKYCQPJEPPILO-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.47
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 51242524) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID51242524
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)N1CCN(C(C)C(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C13H20N4O3/c1-9-8-12(15-20-9)14-13(19)10(2)16-4-6-17(7-5-16)11(3)18/h8,10H,4-7H2,1-3H3,(H,14,15,19)
InChIKeyUPKYCQPJEPPILO-UHFFFAOYSA-N
XLogP0.47
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95277625
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9276911
(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34680281
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 134045166
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 94162134
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46403514
(2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95302315
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492975
(2S)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95284949
(2S)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95295579
(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 97004864

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 51242524) is 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CC(=O)N1CCN(C(C)C(=O)Nc2cc(C)on2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is UPKYCQPJEPPILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-8-12(15-20-9)14-13(19)10(2)16-4-6-17(7-5-16)11(3)18/h8,10H,4-7H2,1-3H3,(H,14,15,19).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 51242524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).