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

C20H20N4O2 — CID 58381514

IUPAC2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCCc1[nH]nc2ccc(Cc3nnc(Cc4cccc(OC)c4)o3)cc12
InChIInChI=1S/C20H20N4O2/c1-3-17-16-10-14(7-8-18(16)22-21-17)12-20-24-23-19(26-20)11-13-5-4-6-15(9-13)25-2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyPFLMRTQVIUBTPM-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.70
Rot. Bonds6

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

2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 58381514) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
PubChem CID58381514
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCCc1[nH]nc2ccc(Cc3nnc(Cc4cccc(OC)c4)o3)cc12
InChIInChI=1S/C20H20N4O2/c1-3-17-16-10-14(7-8-18(16)22-21-17)12-20-24-23-19(26-20)11-13-5-4-6-15(9-13)25-2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyPFLMRTQVIUBTPM-UHFFFAOYSA-N
XLogP3.70
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2H-indazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 25122244
2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 158635617
2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 82665656
5-[(3-methoxyphenyl)methyl]-3-(2-pyridin-2-ylethynyl)-2H-indazole
CID 156734063
2-(3-ethyl-2H-indazol-5-yl)ethanamine
CID 105443877
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(5-ethyl-2H-indazol-3-yl)methanol
CID 76846312
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975288
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole (CID 58381514) is 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole is CCc1[nH]nc2ccc(Cc3nnc(Cc4cccc(OC)c4)o3)cc12.
What is the InChIKey of 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is PFLMRTQVIUBTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-17-16-10-14(7-8-18(16)22-21-17)12-20-24-23-19(26-20)11-13-5-4-6-15(9-13)25-2/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole?
2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 348.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2H-indazol-5-yl)methyl]-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58381514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).