2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine

C19H18Cl2N2O4S — CID 18826632

IUPAC2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
SMILESCOCCCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O4S/c1-26-12-4-11-22-18-19(28(24,25)14-9-7-13(20)8-10-14)23-17(27-18)15-5-2-3-6-16(15)21/h2-3,5-10,22H,4,11-12H2,1H3
InChIKeyHMRUEBTYHOCYMB-UHFFFAOYSA-N
MW441.34 g/mol
LogP4.93
Rot. Bonds8

About 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine

2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine (PubChem CID 18826632) has the molecular formula C19H18Cl2N2O4S and a molecular weight of 441.34 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
PubChem CID18826632
Molecular FormulaC19H18Cl2N2O4S
Molecular Weight441.34 g/mol
Exact Mass440.04
IUPAC Name2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
SMILESCOCCCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O4S/c1-26-12-4-11-22-18-19(28(24,25)14-9-7-13(20)8-10-14)23-17(27-18)15-5-2-3-6-16(15)21/h2-3,5-10,22H,4,11-12H2,1H3
InChIKeyHMRUEBTYHOCYMB-UHFFFAOYSA-N
XLogP4.93
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 54.93
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-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18827102
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826652
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826635
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704793
N-butyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826859
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826640
4-(3,4-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 142192774
N-[4-(4-bromophenyl)sulfonyl-2-(2-chlorophenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 18826694
N-[2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 2219681
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826885
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704848
2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
CID 2192066

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine (CID 18826632) is 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine is COCCCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine?
The InChIKey is HMRUEBTYHOCYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4S/c1-26-12-4-11-22-18-19(28(24,25)14-9-7-13(20)8-10-14)23-17(27-18)15-5-2-3-6-16(15)21/h2-3,5-10,22H,4,11-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine?
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine has a molecular weight of 441.34 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).