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

C20H14FN3O3 — CID 46385483

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C20H14FN3O3/c21-16-9-7-13(8-10-16)18-23-20(27-24-18)15-5-3-14(4-6-15)19(25)22-12-17-2-1-11-26-17/h1-11H,12H2,(H,22,25)
InChIKeyGXPXPZYHPWRBBQ-UHFFFAOYSA-N
MW363.35 g/mol
LogP4.07
Rot. Bonds5

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

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 46385483) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID46385483
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C20H14FN3O3/c21-16-9-7-13(8-10-16)18-23-20(27-24-18)15-5-3-14(4-6-15)19(25)22-12-17-2-1-11-26-17/h1-11H,12H2,(H,22,25)
InChIKeyGXPXPZYHPWRBBQ-UHFFFAOYSA-N
XLogP4.07
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 92886975
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110029258
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 50828677
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,1-benzoxazole-5-carboxamide
CID 22575714
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 50828790

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide (CID 46385483) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is GXPXPZYHPWRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-16-9-7-13(8-10-16)18-23-20(27-24-18)15-5-3-14(4-6-15)19(25)22-12-17-2-1-11-26-17/h1-11H,12H2,(H,22,25).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 363.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 46385483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).