2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide

C12H16N2O4S — CID 71982400

IUPAC2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
SMILESO=C(CC1=CCCCC1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H16N2O4S/c15-12(8-10-4-2-1-3-5-10)14-19(16,17)9-11-6-7-18-13-11/h4,6-7H,1-3,5,8-9H2,(H,14,15)
InChIKeyCIVPXKYNJACAND-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.51
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide

2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide (PubChem CID 71982400) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
PubChem CID71982400
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
SMILESO=C(CC1=CCCCC1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H16N2O4S/c15-12(8-10-4-2-1-3-5-10)14-19(16,17)9-11-6-7-18-13-11/h4,6-7H,1-3,5,8-9H2,(H,14,15)
InChIKeyCIVPXKYNJACAND-UHFFFAOYSA-N
XLogP1.51
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide 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

2-cyclohexyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide
CID 91643832
2-(cyclohexen-1-yl)-N-(3,4-difluorophenyl)sulfonylacetamide
CID 75420036
6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 55214702
2-(cyclohexen-1-yl)-N-(1H-imidazol-2-yl)acetamide
CID 63563325
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
CID 63563087
N-(2-aminocyclopropyl)-2-(cyclohexen-1-yl)acetamide
CID 63563093
N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide
CID 63886786
2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114601
N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide
CID 65193722
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
CID 111784877
2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid
CID 63564596
N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide
CID 63563469

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide (CID 71982400) is 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide is O=C(CC1=CCCCC1)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
The InChIKey is CIVPXKYNJACAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-12(8-10-4-2-1-3-5-10)14-19(16,17)9-11-6-7-18-13-11/h4,6-7H,1-3,5,8-9H2,(H,14,15).
What are the key properties of 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide?
2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(1,2-oxazol-3-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 71982400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).