2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine

C20H25N3O4S — CID 158152610

IUPAC2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine
SMILESCCOc1ccccc1-c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1.CN
InChIInChI=1S/C19H20N2O4S.CH5N/c1-4-24-16-8-6-5-7-15(16)17-21-19(18(20-3)25-17)26(22,23)14-11-9-13(2)10-12-14;1-2/h5-12,20H,4H2,1-3H3;2H2,1H3
InChIKeyFVHKYMBWUQFIQH-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.50
Rot. Bonds6

About 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine

2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine (PubChem CID 158152610) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine
PubChem CID158152610
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine
SMILESCCOc1ccccc1-c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1.CN
InChIInChI=1S/C19H20N2O4S.CH5N/c1-4-24-16-8-6-5-7-15(16)17-21-19(18(20-3)25-17)26(22,23)14-11-9-13(2)10-12-14;1-2/h5-12,20H,4H2,1-3H3;2H2,1H3
InChIKeyFVHKYMBWUQFIQH-UHFFFAOYSA-N
XLogP3.50
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16812296
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 4825640
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18824659
N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine
CID 18890568
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 5098546
N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine
CID 673780
N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826375
4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825590
N-(4-methoxyphenyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825611
2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826806
2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826552

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine?
The IUPAC name of 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine (CID 158152610) is 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine?
The canonical SMILES for 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine is CCOc1ccccc1-c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1.CN.
What is the InChIKey of 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine?
The InChIKey is FVHKYMBWUQFIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S.CH5N/c1-4-24-16-8-6-5-7-15(16)17-21-19(18(20-3)25-17)26(22,23)14-11-9-13(2)10-12-14;1-2/h5-12,20H,4H2,1-3H3;2H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine?
2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine has a molecular weight of 403.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine is sourced from PubChem (CID 158152610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).