5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine

C16H13FN6O3 — CID 164938876

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3nc4c(OC)nccc4[nH]3)o2)cc1F
InChIInChI=1S/C16H13FN6O3/c1-24-11-4-3-8(7-9(11)17)13-22-23-16(26-13)21-15-19-10-5-6-18-14(25-2)12(10)20-15/h3-7H,1-2H3,(H2,19,20,21,23)
InChIKeyDBEMJWIKVKEYRJ-UHFFFAOYSA-N
MW356.32 g/mol
LogP2.91
Rot. Bonds5

About 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine

5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 164938876) has the molecular formula C16H13FN6O3 and a molecular weight of 356.32 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID164938876
Molecular FormulaC16H13FN6O3
Molecular Weight356.32 g/mol
Exact Mass356.10
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3nc4c(OC)nccc4[nH]3)o2)cc1F
InChIInChI=1S/C16H13FN6O3/c1-24-11-4-3-8(7-9(11)17)13-22-23-16(26-13)21-15-19-10-5-6-18-14(25-2)12(10)20-15/h3-7H,1-2H3,(H2,19,20,21,23)
InChIKeyDBEMJWIKVKEYRJ-UHFFFAOYSA-N
XLogP2.91
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine (CID 164938876) is 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(Nc3nc4c(OC)nccc4[nH]3)o2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DBEMJWIKVKEYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O3/c1-24-11-4-3-8(7-9(11)17)13-22-23-16(26-13)21-15-19-10-5-6-18-14(25-2)12(10)20-15/h3-7H,1-2H3,(H2,19,20,21,23).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine?
5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 356.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164938876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).