3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide

C11H16F3N3O3S — CID 136543320

IUPAC3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O3S/c1-6-9(10(15)16-20-6)21(18,19)17-8-4-2-7(3-5-8)11(12,13)14/h7-8,17H,2-5H2,1H3,(H2,15,16)
InChIKeyMXKAKLFMRDSZEB-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.96
Rot. Bonds3

About 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide

3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide (PubChem CID 136543320) has the molecular formula C11H16F3N3O3S and a molecular weight of 327.33 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide
PubChem CID136543320
Molecular FormulaC11H16F3N3O3S
Molecular Weight327.33 g/mol
Exact Mass327.09
IUPAC Name3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O3S/c1-6-9(10(15)16-20-6)21(18,19)17-8-4-2-7(3-5-8)11(12,13)14/h7-8,17H,2-5H2,1H3,(H2,15,16)
InChIKeyMXKAKLFMRDSZEB-UHFFFAOYSA-N
XLogP1.96
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide
CID 136543326
2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070459
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
(2R)-2-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 166436003
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 164636562
4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651399
5-chloro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
CID 60746138
3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 129347651
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide (CID 136543320) is 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide is Cc1onc(N)c1S(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is MXKAKLFMRDSZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3S/c1-6-9(10(15)16-20-6)21(18,19)17-8-4-2-7(3-5-8)11(12,13)14/h7-8,17H,2-5H2,1H3,(H2,15,16).
What are the key properties of 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide?
3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 327.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 136543320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).