3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide

C14H21N3O4S — CID 166308849

IUPAC3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide
SMILESCC(C)(C)c1cc(S(=O)(=O)NC2CN(C(=O)C3CC3)C2)on1
InChIInChI=1S/C14H21N3O4S/c1-14(2,3)11-6-12(21-15-11)22(19,20)16-10-7-17(8-10)13(18)9-4-5-9/h6,9-10,16H,4-5,7-8H2,1-3H3
InChIKeyLCKYAOHLUYZGFH-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.87
Rot. Bonds4

About 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide

3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide (PubChem CID 166308849) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide
PubChem CID166308849
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide
SMILESCC(C)(C)c1cc(S(=O)(=O)NC2CN(C(=O)C3CC3)C2)on1
InChIInChI=1S/C14H21N3O4S/c1-14(2,3)11-6-12(21-15-11)22(19,20)16-10-7-17(8-10)13(18)9-4-5-9/h6,9-10,16H,4-5,7-8H2,1-3H3
InChIKeyLCKYAOHLUYZGFH-UHFFFAOYSA-N
XLogP0.87
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide?
The IUPAC name of 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide (CID 166308849) is 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide is CC(C)(C)c1cc(S(=O)(=O)NC2CN(C(=O)C3CC3)C2)on1.
What is the InChIKey of 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide?
The InChIKey is LCKYAOHLUYZGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-14(2,3)11-6-12(21-15-11)22(19,20)16-10-7-17(8-10)13(18)9-4-5-9/h6,9-10,16H,4-5,7-8H2,1-3H3.
What are the key properties of 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide?
3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 166308849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).