[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine

C24H22N2O3S — CID 70167921

IUPAC[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-16-9-8-11-18(15-16)21(25)22-24(30(27,28)19-12-4-3-5-13-19)26-23(29-22)20-14-7-6-10-17(20)2/h3-15,21H,25H2,1-2H3
InChIKeyHDCLYRPYSAMUAS-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.84
Rot. Bonds5

About [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine

[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine (PubChem CID 70167921) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine
PubChem CID70167921
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-16-9-8-11-18(15-16)21(25)22-24(30(27,28)19-12-4-3-5-13-19)26-23(29-22)20-14-7-6-10-17(20)2/h3-15,21H,25H2,1-2H3
InChIKeyHDCLYRPYSAMUAS-UHFFFAOYSA-N
XLogP4.84
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine?
The IUPAC name of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine (CID 70167921) is [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine.
What is the SMILES notation for [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine?
The canonical SMILES for [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine is Cc1cccc(C(N)c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine?
The InChIKey is HDCLYRPYSAMUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-9-8-11-18(15-16)21(25)22-24(30(27,28)19-12-4-3-5-13-19)26-23(29-22)20-14-7-6-10-17(20)2/h3-15,21H,25H2,1-2H3.
What are the key properties of [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine?
[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine has a molecular weight of 418.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]-(3-methylphenyl)methanamine is sourced from PubChem (CID 70167921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).