5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole

C11H17N3O3S — CID 121098870

IUPAC5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CN(S(=O)(=O)C3CC3)C2)n1
InChIInChI=1S/C11H17N3O3S/c1-7(2)10-12-11(17-13-10)8-5-14(6-8)18(15,16)9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeyFTBJPHRXCNRQGN-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.08
Rot. Bonds4

About 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole

5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 121098870) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID121098870
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CN(S(=O)(=O)C3CC3)C2)n1
InChIInChI=1S/C11H17N3O3S/c1-7(2)10-12-11(17-13-10)8-5-14(6-8)18(15,16)9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeyFTBJPHRXCNRQGN-UHFFFAOYSA-N
XLogP1.08
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 121098877
3-propan-2-yl-5-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121098873
N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347914
5-(1-cyclopropylsulfonylazetidin-3-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121097392
N-cyclohexyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098776
5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 56728159
1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098383
N-tert-butyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098775
(3,4-dimethylphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098468
1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 121098614
5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 138809822
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 131631949

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 121098870) is 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C2CN(S(=O)(=O)C3CC3)C2)n1.
What is the InChIKey of 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is FTBJPHRXCNRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(2)10-12-11(17-13-10)8-5-14(6-8)18(15,16)9-3-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 271.34 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 5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 121098870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).