2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone

C18H25N3O4 — CID 95613158

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](O)CN1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1
InChIInChI=1S/C18H25N3O4/c1-3-14(22)12-20-6-8-21(9-7-20)17(23)11-15-13(2)25-18(19-15)16-5-4-10-24-16/h4-5,10,14,22H,3,6-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyRHPWBFQPSZFGDF-CQSZACIVSA-N
MW347.42 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone (PubChem CID 95613158) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
PubChem CID95613158
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](O)CN1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1
InChIInChI=1S/C18H25N3O4/c1-3-14(22)12-20-6-8-21(9-7-20)17(23)11-15-13(2)25-18(19-15)16-5-4-10-24-16/h4-5,10,14,22H,3,6-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyRHPWBFQPSZFGDF-CQSZACIVSA-N
XLogP1.70
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95607255
(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 99638821
2-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide
CID 86875777
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride
CID 119637637
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 86885076
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 86950816
(3R,4R)-4-cyclopropyl-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978114
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397285
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119472173
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 110371827
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone (CID 95613158) is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone is CC[C@@H](O)CN1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The InChIKey is RHPWBFQPSZFGDF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-14(22)12-20-6-8-21(9-7-20)17(23)11-15-13(2)25-18(19-15)16-5-4-10-24-16/h4-5,10,14,22H,3,6-9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone has a molecular weight of 347.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95613158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).