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

C21H21FN2O3S — CID 71127822

IUPAC4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide
SMILESCC(=O)c1ccc(CCCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C21H21FN2O3S/c1-14(25)19-10-9-18(28-19)3-2-4-20(26)23-12-11-17-13-27-21(24-17)15-5-7-16(22)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,23,26)
InChIKeyBXIRTBYWXWOPEE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.43
Rot. Bonds9

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

4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide (PubChem CID 71127822) has the molecular formula C21H21FN2O3S and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide
PubChem CID71127822
Molecular FormulaC21H21FN2O3S
Molecular Weight400.48 g/mol
Exact Mass400.13
IUPAC Name4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide
SMILESCC(=O)c1ccc(CCCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C21H21FN2O3S/c1-14(25)19-10-9-18(28-19)3-2-4-20(26)23-12-11-17-13-27-21(24-17)15-5-7-16(22)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,23,26)
InChIKeyBXIRTBYWXWOPEE-UHFFFAOYSA-N
XLogP4.43
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.43
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]ethyl]butanamide?
The IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide (CID 71127822) is 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide.
What is the SMILES notation for 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide?
The canonical SMILES for 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide is CC(=O)c1ccc(CCCC(=O)NCCc2coc(-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]ethyl]butanamide?
The InChIKey is BXIRTBYWXWOPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S/c1-14(25)19-10-9-18(28-19)3-2-4-20(26)23-12-11-17-13-27-21(24-17)15-5-7-16(22)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,23,26).
What are the key properties of 4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide?
4-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]butanamide has a molecular weight of 400.48 g/mol, XLogP of 4.43, 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]ethyl]butanamide is sourced from PubChem (CID 71127822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).