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

C19H18Cl2N2O4S — CID 142192774

IUPAC4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCOCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O4S/c1-12-5-3-4-6-14(12)17-23-19(18(27-17)22-9-10-26-2)28(24,25)13-7-8-15(20)16(21)11-13/h3-8,11,22H,9-10H2,1-2H3
InChIKeyXCGWUEAHAGPTER-UHFFFAOYSA-N
MW441.34 g/mol
LogP4.85
Rot. Bonds7

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

4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 142192774) has the molecular formula C19H18Cl2N2O4S and a molecular weight of 441.34 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
PubChem CID142192774
Molecular FormulaC19H18Cl2N2O4S
Molecular Weight441.34 g/mol
Exact Mass440.04
IUPAC Name4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCOCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O4S/c1-12-5-3-4-6-14(12)17-23-19(18(27-17)22-9-10-26-2)28(24,25)13-7-8-15(20)16(21)11-13/h3-8,11,22H,9-10H2,1-2H3
InChIKeyXCGWUEAHAGPTER-UHFFFAOYSA-N
XLogP4.85
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 70165822
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18826632
4-(benzenesulfonyl)-2-(2-methylphenyl)-N-propyl-1,3-oxazol-5-amine
CID 10108934
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704793
4-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825321
N-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 16650224
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826652
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825299
2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826552
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 18825123
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methoxyethyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 16650010

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine (CID 142192774) is 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine is COCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is XCGWUEAHAGPTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4S/c1-12-5-3-4-6-14(12)17-23-19(18(27-17)22-9-10-26-2)28(24,25)13-7-8-15(20)16(21)11-13/h3-8,11,22H,9-10H2,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine?
4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 441.34 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 142192774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).