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

C17H16FN3O3S — CID 38136087

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C17H16FN3O3S/c1-2-20(10-12-5-3-6-13(18)9-12)15(22)11-21-17(23)24-16(19-21)14-7-4-8-25-14/h3-9H,2,10-11H2,1H3
InChIKeyODVBIAFSUNRXPT-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.75
Rot. Bonds6

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

N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 38136087) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID38136087
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C17H16FN3O3S/c1-2-20(10-12-5-3-6-13(18)9-12)15(22)11-21-17(23)24-16(19-21)14-7-4-8-25-14/h3-9H,2,10-11H2,1H3
InChIKeyODVBIAFSUNRXPT-UHFFFAOYSA-N
XLogP2.75
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (CID 38136087) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is CCN(Cc1cccc(F)c1)C(=O)Cn1nc(-c2cccs2)oc1=O.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is ODVBIAFSUNRXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-2-20(10-12-5-3-6-13(18)9-12)15(22)11-21-17(23)24-16(19-21)14-7-4-8-25-14/h3-9H,2,10-11H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 361.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 38136087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).