3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole

C14H23N3O3S — CID 63259650

IUPAC3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-5-12(6-9-17)13-4-3-7-15-13/h12-13,15H,3-9H2,1-2H3
InChIKeyRLDBIMAOTMPCFD-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.44
Rot. Bonds3

About 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole

3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole (PubChem CID 63259650) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
PubChem CID63259650
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-5-12(6-9-17)13-4-3-7-15-13/h12-13,15H,3-9H2,1-2H3
InChIKeyRLDBIMAOTMPCFD-UHFFFAOYSA-N
XLogP1.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide
CID 120577777
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573054
4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 66203511
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
CID 120714269
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120618871

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole (CID 63259650) is 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole?
The InChIKey is RLDBIMAOTMPCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-5-12(6-9-17)13-4-3-7-15-13/h12-13,15H,3-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole?
3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole has a molecular weight of 313.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole is sourced from PubChem (CID 63259650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).