(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone

C19H25N3O2 — CID 71994059

IUPAC(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone
SMILESCCc1ocnc1C(=O)N1CCN(Cc2ccccc2)CC1CC
InChIInChI=1S/C19H25N3O2/c1-3-16-13-21(12-15-8-6-5-7-9-15)10-11-22(16)19(23)18-17(4-2)24-14-20-18/h5-9,14,16H,3-4,10-13H2,1-2H3
InChIKeyAYQDCDPIJRRPOE-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.97
Rot. Bonds5

About (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone

(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone (PubChem CID 71994059) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone
PubChem CID71994059
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone
SMILESCCc1ocnc1C(=O)N1CCN(Cc2ccccc2)CC1CC
InChIInChI=1S/C19H25N3O2/c1-3-16-13-21(12-15-8-6-5-7-9-15)10-11-22(16)19(23)18-17(4-2)24-14-20-18/h5-9,14,16H,3-4,10-13H2,1-2H3
InChIKeyAYQDCDPIJRRPOE-UHFFFAOYSA-N
XLogP2.97
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
CID 56878522
[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 95986872
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 42392703
(3S)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 97324092
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782146
1-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782147
4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 71992455
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
1-benzyl-3-ethyl-8-(5-ethyl-1,3-oxazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613646
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 95782150
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone (CID 71994059) is (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone is CCc1ocnc1C(=O)N1CCN(Cc2ccccc2)CC1CC.
What is the InChIKey of (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is AYQDCDPIJRRPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-16-13-21(12-15-8-6-5-7-9-15)10-11-22(16)19(23)18-17(4-2)24-14-20-18/h5-9,14,16H,3-4,10-13H2,1-2H3.
What are the key properties of (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone?
(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 71994059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).