N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C21H24N2O3S — CID 4254221

IUPACN-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H24N2O3S/c1-15(21(2,3)4)23-27(24,25)20-18(16-11-7-5-8-12-16)26-19(22-20)17-13-9-6-10-14-17/h5-15,23H,1-4H3
InChIKeyRUHQGEDOSSTTMM-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.72
Rot. Bonds5

About N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 4254221) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID4254221
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H24N2O3S/c1-15(21(2,3)4)23-27(24,25)20-18(16-11-7-5-8-12-16)26-19(22-20)17-13-9-6-10-14-17/h5-15,23H,1-4H3
InChIKeyRUHQGEDOSSTTMM-UHFFFAOYSA-N
XLogP4.72
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 25041851
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3775374
N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3844848
N-(2-methylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 25034963
N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3702958
N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 5013420
2,5-diphenyl-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-sulfonamide
CID 3783294
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 5100775
2,5-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-sulfonamide
CID 3758360
ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate
CID 25044869
2,2-dimethyl-N'-[(2-methyl-5-phenyl-1,3-oxazol-4-yl)sulfonyl]propanehydrazide
CID 136572903
N-propan-2-yl-1,3-benzoxazole-2-sulfonamide
CID 71633138

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 4254221) is N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is CC(NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is RUHQGEDOSSTTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15(21(2,3)4)23-27(24,25)20-18(16-11-7-5-8-12-16)26-19(22-20)17-13-9-6-10-14-17/h5-15,23H,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 4254221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).