3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide

C16H22N2O3S — CID 71902435

IUPAC3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-11(2)10-15(14-8-6-5-7-9-14)18-22(19,20)16-12(3)17-21-13(16)4/h5-9,11,15,18H,10H2,1-4H3
InChIKeyOGVZZOKFRODUHU-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.36
Rot. Bonds6

About 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide (PubChem CID 71902435) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
PubChem CID71902435
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-11(2)10-15(14-8-6-5-7-9-14)18-22(19,20)16-12(3)17-21-13(16)4/h5-9,11,15,18H,10H2,1-4H3
InChIKeyOGVZZOKFRODUHU-UHFFFAOYSA-N
XLogP3.36
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
CID 71911988
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 100766932
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
3,5-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 133231102
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100730820
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-sulfonamide
CID 45366402

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide (CID 71902435) is 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is OGVZZOKFRODUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11(2)10-15(14-8-6-5-7-9-14)18-22(19,20)16-12(3)17-21-13(16)4/h5-9,11,15,18H,10H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71902435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).