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

C22H16FN3O4 — CID 155302345

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
SMILESCOc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)cc1
InChIInChI=1S/C22H16FN3O4/c1-28-17-10-12-19(13-11-17)29-18-8-4-14(5-9-18)20(27)24-22-26-25-21(30-22)15-2-6-16(23)7-3-15/h2-13H,1H3,(H,24,26,27)
InChIKeyZEZBQRFZSKCNMM-UHFFFAOYSA-N
MW405.39 g/mol
LogP4.93
Rot. Bonds6

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

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide (PubChem CID 155302345) has the molecular formula C22H16FN3O4 and a molecular weight of 405.39 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
PubChem CID155302345
Molecular FormulaC22H16FN3O4
Molecular Weight405.39 g/mol
Exact Mass405.11
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
SMILESCOc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)cc1
InChIInChI=1S/C22H16FN3O4/c1-28-17-10-12-19(13-11-17)29-18-8-4-14(5-9-18)20(27)24-22-26-25-21(30-22)15-2-6-16(23)7-3-15/h2-13H,1H3,(H,24,26,27)
InChIKeyZEZBQRFZSKCNMM-UHFFFAOYSA-N
XLogP4.93
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 7655505
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 4319364
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5240164
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-phenoxypyridine-2-carboxamide
CID 155302362
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3522706

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide (CID 155302345) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide is COc1ccc(Oc2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide?
The InChIKey is ZEZBQRFZSKCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4/c1-28-17-10-12-19(13-11-17)29-18-8-4-14(5-9-18)20(27)24-22-26-25-21(30-22)15-2-6-16(23)7-3-15/h2-13H,1H3,(H,24,26,27).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide has a molecular weight of 405.39 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide is sourced from PubChem (CID 155302345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).