3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C11H16ClN3O3S — CID 71988744

IUPAC3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESC=C(Cl)CN1CCN(S(=O)(=O)Cc2ccon2)CC1
InChIInChI=1S/C11H16ClN3O3S/c1-10(12)8-14-3-5-15(6-4-14)19(16,17)9-11-2-7-18-13-11/h2,7H,1,3-6,8-9H2
InChIKeySXSOXGVVJPBBKU-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.87
Rot. Bonds5

About 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 71988744) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID71988744
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESC=C(Cl)CN1CCN(S(=O)(=O)Cc2ccon2)CC1
InChIInChI=1S/C11H16ClN3O3S/c1-10(12)8-14-3-5-15(6-4-14)19(16,17)9-11-2-7-18-13-11/h2,7H,1,3-6,8-9H2
InChIKeySXSOXGVVJPBBKU-UHFFFAOYSA-N
XLogP0.87
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 71988744) is 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is C=C(Cl)CN1CCN(S(=O)(=O)Cc2ccon2)CC1.
What is the InChIKey of 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is SXSOXGVVJPBBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-10(12)8-14-3-5-15(6-4-14)19(16,17)9-11-2-7-18-13-11/h2,7H,1,3-6,8-9H2.
What are the key properties of 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 305.79 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 71988744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).