4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine

C21H19FN4O3S — CID 18825534

IUPAC4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NCCCn1ccnc1
InChIInChI=1S/C21H19FN4O3S/c22-17-9-7-16(8-10-17)19-25-21(30(27,28)18-5-2-1-3-6-18)20(29-19)24-11-4-13-26-14-12-23-15-26/h1-3,5-10,12,14-15,24H,4,11,13H2
InChIKeyMYLILJLUCMQRGT-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.01
Rot. Bonds8

About 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine (PubChem CID 18825534) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine
PubChem CID18825534
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NCCCn1ccnc1
InChIInChI=1S/C21H19FN4O3S/c22-17-9-7-16(8-10-17)19-25-21(30(27,28)18-5-2-1-3-6-18)20(29-19)24-11-4-13-26-14-12-23-15-26/h1-3,5-10,12,14-15,24H,4,11,13H2
InChIKeyMYLILJLUCMQRGT-UHFFFAOYSA-N
XLogP4.01
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-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-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine (CID 18825534) is 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NCCCn1ccnc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine?
The InChIKey is MYLILJLUCMQRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c22-17-9-7-16(8-10-17)19-25-21(30(27,28)18-5-2-1-3-6-18)20(29-19)24-11-4-13-26-14-12-23-15-26/h1-3,5-10,12,14-15,24H,4,11,13H2.
What are the key properties of 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine has a molecular weight of 426.47 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).