5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine

C17H14FN5O3 — CID 170607437

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3nc4c(OC)cccc4[nH]3)o2)cc1F
InChIInChI=1S/C17H14FN5O3/c1-24-12-7-6-9(8-10(12)18)15-22-23-17(26-15)21-16-19-11-4-3-5-13(25-2)14(11)20-16/h3-8H,1-2H3,(H2,19,20,21,23)
InChIKeyHNNAOTAUQYSSQF-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.51
Rot. Bonds5

About 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine

5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 170607437) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID170607437
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3nc4c(OC)cccc4[nH]3)o2)cc1F
InChIInChI=1S/C17H14FN5O3/c1-24-12-7-6-9(8-10(12)18)15-22-23-17(26-15)21-16-19-11-4-3-5-13(25-2)14(11)20-16/h3-8H,1-2H3,(H2,19,20,21,23)
InChIKeyHNNAOTAUQYSSQF-UHFFFAOYSA-N
XLogP3.51
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 170607437) is 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4[nH]3)o2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HNNAOTAUQYSSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c1-24-12-7-6-9(8-10(12)18)15-22-23-17(26-15)21-16-19-11-4-3-5-13(25-2)14(11)20-16/h3-8H,1-2H3,(H2,19,20,21,23).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine?
5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 355.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 170607437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).