4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C17H16FN3O3S — CID 25467816

IUPAC4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c1-23-9-8-21(17(22)12-4-6-13(18)7-5-12)11-15-19-20-16(24-15)14-3-2-10-25-14/h2-7,10H,8-9,11H2,1H3
InChIKeyOOSYAQCVUGSKIK-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.23
Rot. Bonds7

About 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 25467816) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID25467816
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c1-23-9-8-21(17(22)12-4-6-13(18)7-5-12)11-15-19-20-16(24-15)14-3-2-10-25-14/h2-7,10H,8-9,11H2,1H3
InChIKeyOOSYAQCVUGSKIK-UHFFFAOYSA-N
XLogP3.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 25467816) is 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is OOSYAQCVUGSKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-23-9-8-21(17(22)12-4-6-13(18)7-5-12)11-15-19-20-16(24-15)14-3-2-10-25-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 25467816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).