2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole

C17H14N4O2 — CID 162677042

IUPAC2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3nn(C)c4ccccc34)o2)cc1
InChIInChI=1S/C17H14N4O2/c1-21-14-6-4-3-5-13(14)15(20-21)17-19-18-16(23-17)11-7-9-12(22-2)10-8-11/h3-10H,1-2H3
InChIKeyNTZGATDSJHAUEU-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 162677042) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID162677042
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3nn(C)c4ccccc34)o2)cc1
InChIInChI=1S/C17H14N4O2/c1-21-14-6-4-3-5-13(14)15(20-21)17-19-18-16(23-17)11-7-9-12(22-2)10-8-11/h3-10H,1-2H3
InChIKeyNTZGATDSJHAUEU-UHFFFAOYSA-N
XLogP3.30
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole (CID 162677042) is 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3nn(C)c4ccccc34)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is NTZGATDSJHAUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-21-14-6-4-3-5-13(14)15(20-21)17-19-18-16(23-17)11-7-9-12(22-2)10-8-11/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 306.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162677042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).