4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine

C19H17FN4O3S2 — CID 5267385

IUPAC4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2cccs2)oc1NCCCn1ccnc1
InChIInChI=1S/C19H17FN4O3S2/c20-14-4-6-15(7-5-14)29(25,26)19-18(22-8-2-10-24-11-9-21-13-24)27-17(23-19)16-3-1-12-28-16/h1,3-7,9,11-13,22H,2,8,10H2
InChIKeyIZZAZQNHXVLWIO-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.07
Rot. Bonds8

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

4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (PubChem CID 5267385) has the molecular formula C19H17FN4O3S2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
PubChem CID5267385
Molecular FormulaC19H17FN4O3S2
Molecular Weight432.50 g/mol
Exact Mass432.07
IUPAC Name4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2cccs2)oc1NCCCn1ccnc1
InChIInChI=1S/C19H17FN4O3S2/c20-14-4-6-15(7-5-14)29(25,26)19-18(22-8-2-10-24-11-9-21-13-24)27-17(23-19)16-3-1-12-28-16/h1,3-7,9,11-13,22H,2,8,10H2
InChIKeyIZZAZQNHXVLWIO-UHFFFAOYSA-N
XLogP4.07
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (CID 5267385) is 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is O=S(=O)(c1ccc(F)cc1)c1nc(-c2cccs2)oc1NCCCn1ccnc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The InChIKey is IZZAZQNHXVLWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S2/c20-14-4-6-15(7-5-14)29(25,26)19-18(22-8-2-10-24-11-9-21-13-24)27-17(23-19)16-3-1-12-28-16/h1,3-7,9,11-13,22H,2,8,10H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine has a molecular weight of 432.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 5267385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).