N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine

C20H14Cl2N2O4S — CID 10114722

IUPACN-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)c1nc(-c2ccco2)oc1NCc1ccccc1
InChIInChI=1S/C20H14Cl2N2O4S/c21-14-8-9-15(22)17(11-14)29(25,26)20-19(23-12-13-5-2-1-3-6-13)28-18(24-20)16-7-4-10-27-16/h1-11,23H,12H2
InChIKeyGQVURETXWRZWSW-UHFFFAOYSA-N
MW449.32 g/mol
LogP5.69
Rot. Bonds6

About N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine

N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine (PubChem CID 10114722) has the molecular formula C20H14Cl2N2O4S and a molecular weight of 449.32 g/mol. Its IUPAC name is N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
PubChem CID10114722
Molecular FormulaC20H14Cl2N2O4S
Molecular Weight449.32 g/mol
Exact Mass448.01
IUPAC NameN-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)c1nc(-c2ccco2)oc1NCc1ccccc1
InChIInChI=1S/C20H14Cl2N2O4S/c21-14-8-9-15(22)17(11-14)29(25,26)20-19(23-12-13-5-2-1-3-6-13)28-18(24-20)16-7-4-10-27-16/h1-11,23H,12H2
InChIKeyGQVURETXWRZWSW-UHFFFAOYSA-N
XLogP5.69
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.32
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2219668
CID 3244075
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CID 4914437
CID 4914437
CID 3792980
CID 3792980
CID 2157210
CID 2157210
CID 2157213
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CID 2157232
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CID 2157236
CID 2157236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine (CID 10114722) is N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine is O=S(=O)(c1cc(Cl)ccc1Cl)c1nc(-c2ccco2)oc1NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The InChIKey is GQVURETXWRZWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O4S/c21-14-8-9-15(22)17(11-14)29(25,26)20-19(23-12-13-5-2-1-3-6-13)28-18(24-20)16-7-4-10-27-16/h1-11,23H,12H2.
What are the key properties of N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine has a molecular weight of 449.32 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,5-dichlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine is sourced from PubChem (CID 10114722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).