3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide

C16H14FN3O3 — CID 866835

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NCc1ccco1
InChIInChI=1S/C16H14FN3O3/c17-13-6-2-1-5-12(13)16-19-15(23-20-16)8-7-14(21)18-10-11-4-3-9-22-11/h1-6,9H,7-8,10H2,(H,18,21)
InChIKeyUAHVMIWDEHAOQD-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.72
Rot. Bonds6

About 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 866835) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID866835
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NCc1ccco1
InChIInChI=1S/C16H14FN3O3/c17-13-6-2-1-5-12(13)16-19-15(23-20-16)8-7-14(21)18-10-11-4-3-9-22-11/h1-6,9H,7-8,10H2,(H,18,21)
InChIKeyUAHVMIWDEHAOQD-UHFFFAOYSA-N
XLogP2.72
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide (CID 866835) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NCc1ccco1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is UAHVMIWDEHAOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c17-13-6-2-1-5-12(13)16-19-15(23-20-16)8-7-14(21)18-10-11-4-3-9-22-11/h1-6,9H,7-8,10H2,(H,18,21).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 315.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 866835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).