N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine

C20H15FN2O4S — CID 18826377

IUPACN-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN2O4S/c1-13-4-10-16(11-5-13)28(24,25)20-19(22-15-8-6-14(21)7-9-15)27-18(23-20)17-3-2-12-26-17/h2-12,22H,1H3
InChIKeyNJCAITZMDXGIPO-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.96
Rot. Bonds5

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

N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18826377) has the molecular formula C20H15FN2O4S and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18826377
Molecular FormulaC20H15FN2O4S
Molecular Weight398.42 g/mol
Exact Mass398.07
IUPAC NameN-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN2O4S/c1-13-4-10-16(11-5-13)28(24,25)20-19(22-15-8-6-14(21)7-9-15)27-18(23-20)17-3-2-12-26-17/h2-12,22H,1H3
InChIKeyNJCAITZMDXGIPO-UHFFFAOYSA-N
XLogP4.96
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18826377) is N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is NJCAITZMDXGIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4S/c1-13-4-10-16(11-5-13)28(24,25)20-19(22-15-8-6-14(21)7-9-15)27-18(23-20)17-3-2-12-26-17/h2-12,22H,1H3.
What are the key properties of N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 398.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).