1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone

C21H28N4O3 — CID 3853952

IUPAC1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3coc(C(N)CC(C)C)n3)CC2)cc1
InChIInChI=1S/C21H28N4O3/c1-14(2)12-18(22)20-23-19(13-28-20)21(27)25-10-8-24(9-11-25)17-6-4-16(5-7-17)15(3)26/h4-7,13-14,18H,8-12,22H2,1-3H3
InChIKeyDIDPXDKOBGISRI-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.89
Rot. Bonds6

About 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 3853952) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID3853952
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3coc(C(N)CC(C)C)n3)CC2)cc1
InChIInChI=1S/C21H28N4O3/c1-14(2)12-18(22)20-23-19(13-28-20)21(27)25-10-8-24(9-11-25)17-6-4-16(5-7-17)15(3)26/h4-7,13-14,18H,8-12,22H2,1-3H3
InChIKeyDIDPXDKOBGISRI-UHFFFAOYSA-N
XLogP2.89
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone
CID 3682219
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
1-[4-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 121027795
[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4991020
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
CID 61252307
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 3435157
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3469228
1-[4-[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 87048518
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 3853952) is 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3coc(C(N)CC(C)C)n3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is DIDPXDKOBGISRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14(2)12-18(22)20-23-19(13-28-20)21(27)25-10-8-24(9-11-25)17-6-4-16(5-7-17)15(3)26/h4-7,13-14,18H,8-12,22H2,1-3H3.
What are the key properties of 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 384.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 3853952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).