(1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol

C15H21N3O5S — CID 34523315

IUPAC(1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C15H21N3O5S/c1-11-15(12(2)23-16-11)24(20,21)18-7-5-17(6-8-18)10-13(19)14-4-3-9-22-14/h3-4,9,13,19H,5-8,10H2,1-2H3/t13-/m0/s1
InChIKeyNPCXBKBBKTULBB-ZDUSSCGKSA-N
MW355.42 g/mol
LogP0.92
Rot. Bonds5

About (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol

(1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol (PubChem CID 34523315) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
PubChem CID34523315
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name(1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C15H21N3O5S/c1-11-15(12(2)23-16-11)24(20,21)18-7-5-17(6-8-18)10-13(19)14-4-3-9-22-14/h3-4,9,13,19H,5-8,10H2,1-2H3/t13-/m0/s1
InChIKeyNPCXBKBBKTULBB-ZDUSSCGKSA-N
XLogP0.92
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol with MolForge

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Related Compounds

(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol
CID 34523338
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
3,5-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 17060357
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-ol
CID 47120907
N-[(2R)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 33045636
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide
CID 53118789
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 7016183
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
4-[4-(3-methoxypropyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113073445

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol (CID 34523315) is (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol is Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)c2ccco2)CC1.
What is the InChIKey of (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The InChIKey is NPCXBKBBKTULBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-11-15(12(2)23-16-11)24(20,21)18-7-5-17(6-8-18)10-13(19)14-4-3-9-22-14/h3-4,9,13,19H,5-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
(1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol has a molecular weight of 355.42 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 34523315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).