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

C21H24N2O3S — CID 18825000

IUPAC2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCC(C)C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14(2)13-22-20-21(27(24,25)18-10-8-15(3)9-11-18)23-19(26-20)17-7-5-6-16(4)12-17/h5-12,14,22H,13H2,1-4H3
InChIKeyQUPLGSYFKXPUGG-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.86
Rot. Bonds6

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

2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine (PubChem CID 18825000) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
PubChem CID18825000
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCC(C)C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14(2)13-22-20-21(27(24,25)18-10-8-15(3)9-11-18)23-19(26-20)17-7-5-6-16(4)12-17/h5-12,14,22H,13H2,1-4H3
InChIKeyQUPLGSYFKXPUGG-UHFFFAOYSA-N
XLogP4.86
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267265
N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 16812306
N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825667
4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825595
N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825642
N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18824916
N-[4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 18825155
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 16650099
2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826177
4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18825718
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826635
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methylphenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 16650026

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine (CID 18825000) is 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCC(C)C)cc1.
What is the InChIKey of 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The InChIKey is QUPLGSYFKXPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14(2)13-22-20-21(27(24,25)18-10-8-15(3)9-11-18)23-19(26-20)17-7-5-6-16(4)12-17/h5-12,14,22H,13H2,1-4H3.
What are the key properties of 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine has a molecular weight of 384.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).