4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine

C17H16N2O3S — CID 16812296

IUPAC4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-12-8-10-13(11-9-12)15-19-17(16(18-2)22-15)23(20,21)14-6-4-3-5-7-14/h3-11,18H,1-2H3
InChIKeyNDFMGYFNRNNIGU-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.52
Rot. Bonds4

About 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 16812296) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
PubChem CID16812296
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-12-8-10-13(11-9-12)15-19-17(16(18-2)22-15)23(20,21)14-6-4-3-5-7-14/h3-11,18H,1-2H3
InChIKeyNDFMGYFNRNNIGU-UHFFFAOYSA-N
XLogP3.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18824659
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880
4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
CID 2219638
4-(benzenesulfonyl)-5-[(2S)-butan-2-yl]sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 1300376
4-(benzenesulfonyl)-5-butan-2-ylsulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 2960978
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824739
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole
CID 167344228
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150
4-(benzenesulfonyl)-2-phenyl-N-(1-phenylethyl)-1,3-oxazol-5-amine
CID 2964757
2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine
CID 158152610

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine (CID 16812296) is 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine is CNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is NDFMGYFNRNNIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-8-10-13(11-9-12)15-19-17(16(18-2)22-15)23(20,21)14-6-4-3-5-7-14/h3-11,18H,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 328.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16812296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).