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

C18H15FN2O3S — CID 2964752

IUPAC4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3S/c1-2-12-20-17-18(21-16(24-17)13-6-4-3-5-7-13)25(22,23)15-10-8-14(19)9-11-15/h2-11,20H,1,12H2
InChIKeyBIVKSKXREFGSBE-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.91
Rot. Bonds6

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

4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine (PubChem CID 2964752) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine
PubChem CID2964752
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine
SMILESC=CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3S/c1-2-12-20-17-18(21-16(24-17)13-6-4-3-5-7-13)25(22,23)15-10-8-14(19)9-11-15/h2-11,20H,1,12H2
InChIKeyBIVKSKXREFGSBE-UHFFFAOYSA-N
XLogP3.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine (CID 2964752) is 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine is C=CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine?
The InChIKey is BIVKSKXREFGSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-2-12-20-17-18(21-16(24-17)13-6-4-3-5-7-13)25(22,23)15-10-8-14(19)9-11-15/h2-11,20H,1,12H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine?
4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine has a molecular weight of 358.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-phenyl-N-prop-2-enyl-1,3-oxazol-5-amine is sourced from PubChem (CID 2964752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).