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

C24H22N2O3S — CID 18825718

IUPAC4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1cc(C)cc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-16-8-7-9-19(13-16)22-26-24(30(27,28)21-10-5-4-6-11-21)23(29-22)25-20-14-17(2)12-18(3)15-20/h4-15,25H,1-3H3
InChIKeySBRQDWVRGVFALV-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.84
Rot. Bonds5

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

4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18825718) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18825718
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1cc(C)cc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-16-8-7-9-19(13-16)22-26-24(30(27,28)21-10-5-4-6-11-21)23(29-22)25-20-14-17(2)12-18(3)15-20/h4-15,25H,1-3H3
InChIKeySBRQDWVRGVFALV-UHFFFAOYSA-N
XLogP5.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine (CID 18825718) is 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine is Cc1cc(C)cc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is SBRQDWVRGVFALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-8-7-9-19(13-16)22-26-24(30(27,28)21-10-5-4-6-11-21)23(29-22)25-20-14-17(2)12-18(3)15-20/h4-15,25H,1-3H3.
What are the key properties of 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 418.52 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).