3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

C15H26N4O3S — CID 94021516

IUPAC3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)on1
InChIInChI=1S/C15H26N4O3S/c1-13-4-3-5-19(11-13)23(20,21)18-8-6-17(7-9-18)12-15-10-14(2)16-22-15/h10,13H,3-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeySFIWIYBBSFWQGP-ZDUSSCGKSA-N
MW342.47 g/mol
LogP1.08
Rot. Bonds4

About 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 94021516) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
PubChem CID94021516
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)on1
InChIInChI=1S/C15H26N4O3S/c1-13-4-3-5-19(11-13)23(20,21)18-8-6-17(7-9-18)12-15-10-14(2)16-22-15/h10,13H,3-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeySFIWIYBBSFWQGP-ZDUSSCGKSA-N
XLogP1.08
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 42960083
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
CID 94099552
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127883238
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 35317151
5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 171704888
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905121
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142403
[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]sulfonylazetidin-1-yl]-phenylmethanone
CID 75474398
3-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 30142306
3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole (CID 94021516) is 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(S(=O)(=O)N3CCC[C@H](C)C3)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is SFIWIYBBSFWQGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-13-4-3-5-19(11-13)23(20,21)18-8-6-17(7-9-18)12-15-10-14(2)16-22-15/h10,13H,3-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 342.47 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 94021516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).