5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

C12H12N4O2 — CID 94069316

IUPAC5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C12H12N4O2/c1-17-7-6-10-13-12(18-16-10)11-8-4-2-3-5-9(8)14-15-11/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyBGWVZJRCWDVVFO-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.80
Rot. Bonds4

About 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 94069316) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID94069316
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C12H12N4O2/c1-17-7-6-10-13-12(18-16-10)11-8-4-2-3-5-9(8)14-15-11/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyBGWVZJRCWDVVFO-UHFFFAOYSA-N
XLogP1.80
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069261
5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467446
3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 56770576
3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole
CID 167819354
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184
3-(2-methoxyethyl)-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
CID 56891263
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 55151915
2-(1H-indazol-3-yl)-1,3-benzoxazole
CID 66524515
1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865238
3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 71974141
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 61412594
3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole
CID 61412494

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 94069316) is 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(-c2n[nH]c3ccccc23)n1.
What is the InChIKey of 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is BGWVZJRCWDVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-17-7-6-10-13-12(18-16-10)11-8-4-2-3-5-9(8)14-15-11/h2-5H,6-7H2,1H3,(H,14,15).
What are the key properties of 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 244.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 94069316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).