N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide

C14H18N2O3S — CID 110671276

IUPACN-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2O3S/c1-10(2)12-4-6-13(7-5-12)20(17,18)16-8-14-11(3)15-9-19-14/h4-7,9-10,16H,8H2,1-3H3
InChIKeyCZFHRDRPTWTFBM-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.58
Rot. Bonds5

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

N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 110671276) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID110671276
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2O3S/c1-10(2)12-4-6-13(7-5-12)20(17,18)16-8-14-11(3)15-9-19-14/h4-7,9-10,16H,8H2,1-3H3
InChIKeyCZFHRDRPTWTFBM-UHFFFAOYSA-N
XLogP2.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 138018139
2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018158
4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042080
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283976
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264401
4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401421

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide (CID 110671276) is N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide is Cc1ncoc1CNS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is CZFHRDRPTWTFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10(2)12-4-6-13(7-5-12)20(17,18)16-8-14-11(3)15-9-19-14/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110671276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).