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

C23H25FN2O3S — CID 71127819

IUPAC4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide
SMILESCC(=O)c1ccc(CCCC(=O)NCC(C)(C)c2coc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C23H25FN2O3S/c1-15(27)19-12-11-18(30-19)5-4-6-21(28)25-14-23(2,3)20-13-29-22(26-20)16-7-9-17(24)10-8-16/h7-13H,4-6,14H2,1-3H3,(H,25,28)
InChIKeyMTYFSRXOTRPULA-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.16
Rot. Bonds9

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

4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide (PubChem CID 71127819) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide.

Molecular Properties

Compound Name4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide
PubChem CID71127819
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide
SMILESCC(=O)c1ccc(CCCC(=O)NCC(C)(C)c2coc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C23H25FN2O3S/c1-15(27)19-12-11-18(30-19)5-4-6-21(28)25-14-23(2,3)20-13-29-22(26-20)16-7-9-17(24)10-8-16/h7-13H,4-6,14H2,1-3H3,(H,25,28)
InChIKeyMTYFSRXOTRPULA-UHFFFAOYSA-N
XLogP5.16
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide?
The IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide (CID 71127819) is 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide.
What is the SMILES notation for 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide?
The canonical SMILES for 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide is CC(=O)c1ccc(CCCC(=O)NCC(C)(C)c2coc(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide?
The InChIKey is MTYFSRXOTRPULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-15(27)19-12-11-18(30-19)5-4-6-21(28)25-14-23(2,3)20-13-29-22(26-20)16-7-9-17(24)10-8-16/h7-13H,4-6,14H2,1-3H3,(H,25,28).
What are the key properties of 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide?
4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide has a molecular weight of 428.53 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide is sourced from PubChem (CID 71127819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).