N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide

C15H20N2O3S — CID 75393201

IUPACN-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1ocnc1CNS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H20N2O3S/c1-11(2)8-13-4-6-14(7-5-13)21(18,19)17-9-15-12(3)20-10-16-15/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyLUYUTQZPYROBNH-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.66
Rot. Bonds6

About N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide

N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 75393201) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID75393201
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1ocnc1CNS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H20N2O3S/c1-11(2)8-13-4-6-14(7-5-13)21(18,19)17-9-15-12(3)20-10-16-15/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyLUYUTQZPYROBNH-UHFFFAOYSA-N
XLogP2.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide (CID 75393201) is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide is Cc1ocnc1CNS(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LUYUTQZPYROBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(2)8-13-4-6-14(7-5-13)21(18,19)17-9-15-12(3)20-10-16-15/h4-7,10-11,17H,8-9H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 75393201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).