3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol

C12H21N3O4S — CID 47120907

IUPAC3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CCCO)CC1
InChIInChI=1S/C12H21N3O4S/c1-10-12(11(2)19-13-10)20(17,18)15-7-5-14(6-8-15)4-3-9-16/h16H,3-9H2,1-2H3
InChIKeyOSHIRJRMEVDEKN-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.02
Rot. Bonds5

About 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol

3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol (PubChem CID 47120907) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
PubChem CID47120907
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CCCO)CC1
InChIInChI=1S/C12H21N3O4S/c1-10-12(11(2)19-13-10)20(17,18)15-7-5-14(6-8-15)4-3-9-16/h16H,3-9H2,1-2H3
InChIKeyOSHIRJRMEVDEKN-UHFFFAOYSA-N
XLogP-0.02
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol 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

4-[4-(3-methoxypropyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113073445
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
3,5-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 17060357
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17478178
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 95088619
4-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17479583
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95088604
4-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 42501959
ethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoacetate
CID 110328637
3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 75461225

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol (CID 47120907) is 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol is Cc1noc(C)c1S(=O)(=O)N1CCN(CCCO)CC1.
What is the InChIKey of 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol?
The InChIKey is OSHIRJRMEVDEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-10-12(11(2)19-13-10)20(17,18)15-7-5-14(6-8-15)4-3-9-16/h16H,3-9H2,1-2H3.
What are the key properties of 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol?
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol has a molecular weight of 303.38 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 47120907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).