2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine

C18H14F2N2O3S — CID 18826829

IUPAC2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O3S/c1-2-11-21-17-18(26(23,24)13-9-7-12(19)8-10-13)22-16(25-17)14-5-3-4-6-15(14)20/h2-10,21H,1,11H2
InChIKeyZJRXHZLODXUQKO-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.05
Rot. Bonds6

About 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine

2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine (PubChem CID 18826829) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
PubChem CID18826829
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O3S/c1-2-11-21-17-18(26(23,24)13-9-7-12(19)8-10-13)22-16(25-17)14-5-3-4-6-15(14)20/h2-10,21H,1,11H2
InChIKeyZJRXHZLODXUQKO-UHFFFAOYSA-N
XLogP4.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine (CID 18826829) is 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine is C=CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The InChIKey is ZJRXHZLODXUQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c1-2-11-21-17-18(26(23,24)13-9-7-12(19)8-10-13)22-16(25-17)14-5-3-4-6-15(14)20/h2-10,21H,1,11H2.
What are the key properties of 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine?
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine has a molecular weight of 376.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).