4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide

C25H30FN3O3S — CID 71127830

IUPAC4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide
SMILESCC(=O)c1ccc(CCCC(=O)NCC(CCN(C)C)c2coc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C25H30FN3O3S/c1-17(30)23-12-11-21(33-23)5-4-6-24(31)27-15-19(13-14-29(2)3)22-16-32-25(28-22)18-7-9-20(26)10-8-18/h7-12,16,19H,4-6,13-15H2,1-3H3,(H,27,31)
InChIKeyILMXNGDJYSOPKX-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.92
Rot. Bonds12

About 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide

4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide (PubChem CID 71127830) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide.

Molecular Properties

Compound Name4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide
PubChem CID71127830
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide
SMILESCC(=O)c1ccc(CCCC(=O)NCC(CCN(C)C)c2coc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C25H30FN3O3S/c1-17(30)23-12-11-21(33-23)5-4-6-24(31)27-15-19(13-14-29(2)3)22-16-32-25(28-22)18-7-9-20(26)10-8-18/h7-12,16,19H,4-6,13-15H2,1-3H3,(H,27,31)
InChIKeyILMXNGDJYSOPKX-UHFFFAOYSA-N
XLogP4.92
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide 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-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide?
The IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide (CID 71127830) is 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide.
What is the SMILES notation for 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide?
The canonical SMILES for 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide is CC(=O)c1ccc(CCCC(=O)NCC(CCN(C)C)c2coc(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide?
The InChIKey is ILMXNGDJYSOPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3S/c1-17(30)23-12-11-21(33-23)5-4-6-24(31)27-15-19(13-14-29(2)3)22-16-32-25(28-22)18-7-9-20(26)10-8-18/h7-12,16,19H,4-6,13-15H2,1-3H3,(H,27,31).
What are the key properties of 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide?
4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide has a molecular weight of 471.60 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetylthiophen-2-yl)-N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]butanamide is sourced from PubChem (CID 71127830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).