2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine

C23H26FN3O4S — CID 18824775

IUPAC2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCCCN2CCOCC2)cc1
InChIInChI=1S/C23H26FN3O4S/c1-17-3-9-20(10-4-17)32(28,29)23-22(25-11-2-12-27-13-15-30-16-14-27)31-21(26-23)18-5-7-19(24)8-6-18/h3-10,25H,2,11-16H2,1H3
InChIKeyJNMXORVGAABGAU-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.76
Rot. Bonds8

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

2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine (PubChem CID 18824775) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
PubChem CID18824775
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCCCN2CCOCC2)cc1
InChIInChI=1S/C23H26FN3O4S/c1-17-3-9-20(10-4-17)32(28,29)23-22(25-11-2-12-27-13-15-30-16-14-27)31-21(26-23)18-5-7-19(24)8-6-18/h3-10,25H,2,11-16H2,1H3
InChIKeyJNMXORVGAABGAU-UHFFFAOYSA-N
XLogP3.76
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 18827056
4-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-oxazol-5-amine
CID 18824939
2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18826346
4-(benzenesulfonyl)-2-(4-bromophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18825794
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 18827103
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazol-5-amine
CID 3446909
4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-oxazol-5-amine
CID 2332939
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18824659
4-(4-bromophenyl)sulfonyl-N-butyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18824702
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine
CID 171336612
2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18824850

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine (CID 18824775) is 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCCCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine?
The InChIKey is JNMXORVGAABGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-17-3-9-20(10-4-17)32(28,29)23-22(25-11-2-12-27-13-15-30-16-14-27)31-21(26-23)18-5-7-19(24)8-6-18/h3-10,25H,2,11-16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine?
2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine has a molecular weight of 459.54 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18824775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).