[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone

C17H19BrN2O2 — CID 17252757

IUPAC[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C17H19BrN2O2/c1-2-14-5-3-4-10-20(14)17(21)15-11-16(22-19-15)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3
InChIKeyXGGDHXKWOWTYTM-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.51
Rot. Bonds3

About [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone

[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 17252757) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID17252757
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C17H19BrN2O2/c1-2-14-5-3-4-10-20(14)17(21)15-11-16(22-19-15)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3
InChIKeyXGGDHXKWOWTYTM-UHFFFAOYSA-N
XLogP4.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 46087237
[(2R)-2-ethylpiperidin-1-yl]-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 92761255
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
[2-(aminomethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119468564
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 92901991
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92877742
1-(2-ethylpiperidin-1-yl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]ethanone
CID 16878406
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
3-amino-N-[[1-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578645

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone (CID 17252757) is [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1.
What is the InChIKey of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is XGGDHXKWOWTYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-2-14-5-3-4-10-20(14)17(21)15-11-16(22-19-15)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3.
What are the key properties of [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone?
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 363.26 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 17252757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).