5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole

C18H23N3O3S — CID 121092844

IUPAC5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC(c3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)14-6-8-15(9-7-14)25(22,23)21-10-13(11-21)17-19-16(20-24-17)12-4-5-12/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyIGCPKXHSZVNIQW-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.03
Rot. Bonds4

About 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole

5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 121092844) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID121092844
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC(c3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)14-6-8-15(9-7-14)25(22,23)21-10-13(11-21)17-19-16(20-24-17)12-4-5-12/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyIGCPKXHSZVNIQW-UHFFFAOYSA-N
XLogP3.03
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole
CID 121092849
5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 121097858
5-[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 1456170
3-[3-(trifluoromethyl)phenyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121095970
5-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 3920462
5-[(3S)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 1454479
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole
CID 121190319
3-(3-methylphenyl)-5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 71451181
3-propan-2-yl-5-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121098873
2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505895
3-cyclopropyl-5-[5-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 173108613

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole (CID 121092844) is 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole is CC(C)(C)c1ccc(S(=O)(=O)N2CC(c3nc(C4CC4)no3)C2)cc1.
What is the InChIKey of 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is IGCPKXHSZVNIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18(2,3)14-6-8-15(9-7-14)25(22,23)21-10-13(11-21)17-19-16(20-24-17)12-4-5-12/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole?
5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 361.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 121092844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).