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

C19H12FN3O3 — CID 797656

IUPACN-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(-c3ccccc3F)n2)cc1)c1ccco1
InChIInChI=1S/C19H12FN3O3/c20-15-5-2-1-4-14(15)19-22-17(23-26-19)12-7-9-13(10-8-12)21-18(24)16-6-3-11-25-16/h1-11H,(H,21,24)
InChIKeyRNJHGMHGVIKKFV-UHFFFAOYSA-N
MW349.32 g/mol
LogP4.39
Rot. Bonds4

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

N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 797656) has the molecular formula C19H12FN3O3 and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
PubChem CID797656
Molecular FormulaC19H12FN3O3
Molecular Weight349.32 g/mol
Exact Mass349.09
IUPAC NameN-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(-c3ccccc3F)n2)cc1)c1ccco1
InChIInChI=1S/C19H12FN3O3/c20-15-5-2-1-4-14(15)19-22-17(23-26-19)12-7-9-13(10-8-12)21-18(24)16-6-3-11-25-16/h1-11H,(H,21,24)
InChIKeyRNJHGMHGVIKKFV-UHFFFAOYSA-N
XLogP4.39
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-{5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 2952777
N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 1292336
N-(4-{5-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 3236488
N-{4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-furamide
CID 3237564
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-furamide
CID 3238276
5-bromo-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamide
CID 5070905
N-benzyl-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
CID 16016106
5-bromo-N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
CID 3235646
1-(furan-2-ylmethyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 165117358
N-(4-ethylphenyl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 16015273
N-(4-acetylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 16016093
N-[(Furan-2-YL)methyl]-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-YL]-2-nitroaniline
CID 16016330

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (CID 797656) is N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2noc(-c3ccccc3F)n2)cc1)c1ccco1.
What is the InChIKey of N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is RNJHGMHGVIKKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O3/c20-15-5-2-1-4-14(15)19-22-17(23-26-19)12-7-9-13(10-8-12)21-18(24)16-6-3-11-25-16/h1-11H,(H,21,24).
What are the key properties of N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?
N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 797656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).