3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole

C18H21N3O3S — CID 121092849

IUPAC3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CC(c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H21N3O3S/c22-25(23,16-8-7-12-3-1-2-4-14(12)9-16)21-10-15(11-21)18-19-17(20-24-18)13-5-6-13/h7-9,13,15H,1-6,10-11H2
InChIKeyTYZCDWAARDEFGU-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.61
Rot. Bonds4

About 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole (PubChem CID 121092849) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole
PubChem CID121092849
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CC(c2nc(C3CC3)no2)C1
InChIInChI=1S/C18H21N3O3S/c22-25(23,16-8-7-12-3-1-2-4-14(12)9-16)21-10-15(11-21)18-19-17(20-24-18)13-5-6-13/h7-9,13,15H,1-6,10-11H2
InChIKeyTYZCDWAARDEFGU-UHFFFAOYSA-N
XLogP2.61
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole
CID 121092844
5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 121095977
3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 163338577
3-(4-methoxyphenyl)-5-[(3S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 27443705
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53130827
3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 90594025
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187641
3-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 121146815
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole (CID 121092849) is 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole is O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(c2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is TYZCDWAARDEFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-25(23,16-8-7-12-3-1-2-4-14(12)9-16)21-10-15(11-21)18-19-17(20-24-18)13-5-6-13/h7-9,13,15H,1-6,10-11H2.
What are the key properties of 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 359.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 121092849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).