5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole

C17H14N4O2 — CID 166213401

IUPAC5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(-c3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C17H14N4O2/c1-22-12-5-2-4-11(8-12)9-16-19-17(23-21-16)13-6-3-7-15-14(13)10-18-20-15/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeySGUXJJUUWOOKEB-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.21
Rot. Bonds4

About 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole

5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 166213401) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID166213401
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(-c3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C17H14N4O2/c1-22-12-5-2-4-11(8-12)9-16-19-17(23-21-16)13-6-3-7-15-14(13)10-18-20-15/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeySGUXJJUUWOOKEB-UHFFFAOYSA-N
XLogP3.21
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 166213177
5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole
CID 166213303
5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
CID 129352529
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 115411738
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840
5-(3,4-dimethoxy-5-nitrophenyl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 142496914
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346314
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
3-[(3-methoxyphenyl)methyl]-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720028
3-[(3-methoxyphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780842
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 61291586

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 166213401) is 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole is COc1cccc(Cc2noc(-c3cccc4[nH]ncc34)n2)c1.
What is the InChIKey of 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is SGUXJJUUWOOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-22-12-5-2-4-11(8-12)9-16-19-17(23-21-16)13-6-3-7-15-14(13)10-18-20-15/h2-8,10H,9H2,1H3,(H,18,20).
What are the key properties of 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole?
5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 306.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-4-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166213401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).