N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide

C18H16FN3O4S — CID 27354494

IUPACN-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)s1
InChIInChI=1S/C18H16FN3O4S/c1-11(23)20-9-8-14-6-7-16(27-14)15(24)10-22-18(25)26-17(21-22)12-2-4-13(19)5-3-12/h2-7H,8-10H2,1H3,(H,20,23)
InChIKeyMLDSQHKLZYNZBW-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 27354494) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID27354494
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC NameN-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)s1
InChIInChI=1S/C18H16FN3O4S/c1-11(23)20-9-8-14-6-7-16(27-14)15(24)10-22-18(25)26-17(21-22)12-2-4-13(19)5-3-12/h2-7H,8-10H2,1H3,(H,20,23)
InChIKeyMLDSQHKLZYNZBW-UHFFFAOYSA-N
XLogP2.27
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide (CID 27354494) is N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)s1.
What is the InChIKey of N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is MLDSQHKLZYNZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-11(23)20-9-8-14-6-7-16(27-14)15(24)10-22-18(25)26-17(21-22)12-2-4-13(19)5-3-12/h2-7H,8-10H2,1H3,(H,20,23).
What are the key properties of N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 27354494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).