N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide

C12H19N3O4S — CID 71785452

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CN(S(C)(=O)=O)C2)on1
InChIInChI=1S/C12H19N3O4S/c1-12(2,3)9-5-10(19-14-9)13-11(16)8-6-15(7-8)20(4,17)18/h5,8H,6-7H2,1-4H3,(H,13,16)
InChIKeyWXSFKPOJCVGAMN-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.80
Rot. Bonds3

About N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 71785452) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID71785452
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CN(S(C)(=O)=O)C2)on1
InChIInChI=1S/C12H19N3O4S/c1-12(2,3)9-5-10(19-14-9)13-11(16)8-6-15(7-8)20(4,17)18/h5,8H,6-7H2,1-4H3,(H,13,16)
InChIKeyWXSFKPOJCVGAMN-UHFFFAOYSA-N
XLogP0.80
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide
CID 67953276
(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 67953890
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-morpholin-4-ylsulfonylpropanamide
CID 68732117
N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513205
(5S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663038
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 115486080
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953390
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33027611
1-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134695

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide (CID 71785452) is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2CN(S(C)(=O)=O)C2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is WXSFKPOJCVGAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-12(2,3)9-5-10(19-14-9)13-11(16)8-6-15(7-8)20(4,17)18/h5,8H,6-7H2,1-4H3,(H,13,16).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 71785452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).