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

C20H20N2O3S — CID 16812306

IUPACN-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NC2CC2)cc1
InChIInChI=1S/C20H20N2O3S/c1-13-6-10-17(11-7-13)26(23,24)20-19(21-16-8-9-16)25-18(22-20)15-5-3-4-14(2)12-15/h3-7,10-12,16,21H,8-9H2,1-2H3
InChIKeyAAWXBMXKRDRZPC-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.37
Rot. Bonds5

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

N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 16812306) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID16812306
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NC2CC2)cc1
InChIInChI=1S/C20H20N2O3S/c1-13-6-10-17(11-7-13)26(23,24)20-19(21-16-8-9-16)25-18(22-20)15-5-3-4-14(2)12-15/h3-7,10-12,16,21H,8-9H2,1-2H3
InChIKeyAAWXBMXKRDRZPC-UHFFFAOYSA-N
XLogP4.37
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18825000
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
4-(benzenesulfonyl)-N-cyclopropyl-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 4825655
N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825642
N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16649683
4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18825718
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18825067
4-(4-bromophenyl)sulfonyl-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827163
4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine
CID 18826075
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-cyclopropyl-1,3-oxazol-5-amine
CID 18826525
4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole
CID 167344228

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 16812306) is N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is AAWXBMXKRDRZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-6-10-17(11-7-13)26(23,24)20-19(21-16-8-9-16)25-18(22-20)15-5-3-4-14(2)12-15/h3-7,10-12,16,21H,8-9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 368.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 16812306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).