4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine

C20H14ClFN2O4S — CID 18824833

IUPAC4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1NCc1ccco1
InChIInChI=1S/C20H14ClFN2O4S/c21-14-5-9-17(10-6-14)29(25,26)20-19(23-12-16-2-1-11-27-16)28-18(24-20)13-3-7-15(22)8-4-13/h1-11,23H,12H2
InChIKeyQHFBPWVIYRGMKM-UHFFFAOYSA-N
MW432.86 g/mol
LogP5.17
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine (PubChem CID 18824833) has the molecular formula C20H14ClFN2O4S and a molecular weight of 432.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine
PubChem CID18824833
Molecular FormulaC20H14ClFN2O4S
Molecular Weight432.86 g/mol
Exact Mass432.03
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1NCc1ccco1
InChIInChI=1S/C20H14ClFN2O4S/c21-14-5-9-17(10-6-14)29(25,26)20-19(23-12-16-2-1-11-27-16)28-18(24-20)13-3-7-15(22)8-4-13/h1-11,23H,12H2
InChIKeyQHFBPWVIYRGMKM-UHFFFAOYSA-N
XLogP5.17
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.86
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine (CID 18824833) is 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1NCc1ccco1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine?
The InChIKey is QHFBPWVIYRGMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O4S/c21-14-5-9-17(10-6-14)29(25,26)20-19(23-12-16-2-1-11-27-16)28-18(24-20)13-3-7-15(22)8-4-13/h1-11,23H,12H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine has a molecular weight of 432.86 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18824833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).