4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine

C23H19BrN2O3S — CID 18825595

IUPAC4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O3S/c1-15-6-10-19(11-7-15)25-22-23(30(27,28)20-12-8-18(24)9-13-20)26-21(29-22)17-5-3-4-16(2)14-17/h3-14,25H,1-2H3
InChIKeyVBYGJXZAAHGVGX-UHFFFAOYSA-N
MW483.39 g/mol
LogP6.30
Rot. Bonds5

About 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine

4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18825595) has the molecular formula C23H19BrN2O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18825595
Molecular FormulaC23H19BrN2O3S
Molecular Weight483.39 g/mol
Exact Mass482.03
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCc1ccc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H19BrN2O3S/c1-15-6-10-19(11-7-15)25-22-23(30(27,28)20-12-8-18(24)9-13-20)26-21(29-22)17-5-3-4-16(2)14-17/h3-14,25H,1-2H3
InChIKeyVBYGJXZAAHGVGX-UHFFFAOYSA-N
XLogP6.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.39
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine (CID 18825595) is 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine is Cc1ccc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is VBYGJXZAAHGVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3S/c1-15-6-10-19(11-7-15)25-22-23(30(27,28)20-12-8-18(24)9-13-20)26-21(29-22)17-5-3-4-16(2)14-17/h3-14,25H,1-2H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine?
4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 483.39 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).