3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide

C14H20N4O3S — CID 166337312

IUPAC3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide
SMILESCC(C)(C)c1cc(S(=O)(=O)NC2CC(c3ncc[nH]3)C2)on1
InChIInChI=1S/C14H20N4O3S/c1-14(2,3)11-8-12(21-17-11)22(19,20)18-10-6-9(7-10)13-15-4-5-16-13/h4-5,8-10,18H,6-7H2,1-3H3,(H,15,16)
InChIKeyNNKDDNQZFJJCEH-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.92
Rot. Bonds4

About 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide

3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide (PubChem CID 166337312) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide
PubChem CID166337312
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide
SMILESCC(C)(C)c1cc(S(=O)(=O)NC2CC(c3ncc[nH]3)C2)on1
InChIInChI=1S/C14H20N4O3S/c1-14(2,3)11-8-12(21-17-11)22(19,20)18-10-6-9(7-10)13-15-4-5-16-13/h4-5,8-10,18H,6-7H2,1-3H3,(H,15,16)
InChIKeyNNKDDNQZFJJCEH-UHFFFAOYSA-N
XLogP1.92
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-1,2-oxazole-5-sulfonamide
CID 166308849
2-[3-[[cyclopentyl(methyl)sulfamoyl]amino]cyclobutyl]-1H-imidazole
CID 167986654
3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide
CID 166328771
1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
CID 110725902
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfonyl]-3-cyclopropyl-1,4-thiazinane 1,1-dioxide
CID 167775088
2-(4-methylcyclohexyl)-1H-imidazole
CID 67915661
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166281654
N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline
CID 146102925
2-tert-butyl-N-(1,4-dioxepan-6-yl)-1,3-oxazole-5-sulfonamide
CID 166308541
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide
CID 122152574

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide?
The IUPAC name of 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide (CID 166337312) is 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide is CC(C)(C)c1cc(S(=O)(=O)NC2CC(c3ncc[nH]3)C2)on1.
What is the InChIKey of 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide?
The InChIKey is NNKDDNQZFJJCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-14(2,3)11-8-12(21-17-11)22(19,20)18-10-6-9(7-10)13-15-4-5-16-13/h4-5,8-10,18H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide?
3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[3-(1H-imidazol-2-yl)cyclobutyl]-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 166337312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).