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

C18H19FN4O3S — CID 17410926

IUPAC2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C18H19FN4O3S/c1-2-22(11-16(24)20-10-13-5-7-14(19)8-6-13)12-23-18(25)26-17(21-23)15-4-3-9-27-15/h3-9H,2,10-12H2,1H3,(H,20,24)
InChIKeyGGJJPRXYZQAKGA-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.30
Rot. Bonds8

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

2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 17410926) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID17410926
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C18H19FN4O3S/c1-2-22(11-16(24)20-10-13-5-7-14(19)8-6-13)12-23-18(25)26-17(21-23)15-4-3-9-27-15/h3-9H,2,10-12H2,1H3,(H,20,24)
InChIKeyGGJJPRXYZQAKGA-UHFFFAOYSA-N
XLogP2.30
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 17410926) is 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)Cn1nc(-c2cccs2)oc1=O.
What is the InChIKey of 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GGJJPRXYZQAKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-2-22(11-16(24)20-10-13-5-7-14(19)8-6-13)12-23-18(25)26-17(21-23)15-4-3-9-27-15/h3-9H,2,10-12H2,1H3,(H,20,24).
What are the key properties of 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 17410926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).