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

C17H23N3O4 — CID 95607255

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C17H23N3O4/c1-12(21)11-19-5-7-20(8-6-19)16(22)10-14-13(2)24-17(18-14)15-4-3-9-23-15/h3-4,9,12,21H,5-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyOMZDVXRNJRHXEO-GFCCVEGCSA-N
MW333.39 g/mol
LogP1.31
Rot. Bonds5

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

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone (PubChem CID 95607255) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
PubChem CID95607255
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C17H23N3O4/c1-12(21)11-19-5-7-20(8-6-19)16(22)10-14-13(2)24-17(18-14)15-4-3-9-23-15/h3-4,9,12,21H,5-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyOMZDVXRNJRHXEO-GFCCVEGCSA-N
XLogP1.31
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95613158
(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 99638821
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
(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-fluoro-N-[1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-4-yl]benzamide
CID 86875777
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326170
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119472173
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
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-hydroxypropyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone (CID 95607255) is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]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-hydroxypropyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone is Cc1oc(-c2ccco2)nc1CC(=O)N1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone?
The InChIKey is OMZDVXRNJRHXEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(21)11-19-5-7-20(8-6-19)16(22)10-14-13(2)24-17(18-14)15-4-3-9-23-15/h3-4,9,12,21H,5-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone?
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone has a molecular weight of 333.39 g/mol, XLogP of 1.31, 5 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-hydroxypropyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95607255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).