ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole

C11H15N3O2 — CID 144912637

IUPACethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
SMILESCC.COc1ccnc(-c2nc(C)no2)c1
InChIInChI=1S/C9H9N3O2.C2H6/c1-6-11-9(14-12-6)8-5-7(13-2)3-4-10-8;1-2/h3-5H,1-2H3;1-2H3
InChIKeyBREBTRDACJTIEN-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.47
Rot. Bonds2

About ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole

ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 144912637) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
PubChem CID144912637
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nameethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
SMILESCC.COc1ccnc(-c2nc(C)no2)c1
InChIInChI=1S/C9H9N3O2.C2H6/c1-6-11-9(14-12-6)8-5-7(13-2)3-4-10-8;1-2/h3-5H,1-2H3;1-2H3
InChIKeyBREBTRDACJTIEN-UHFFFAOYSA-N
XLogP2.47
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
CID 176626392
2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
CID 58252537
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
4-(4-methoxy-2-pyridinyl)-1,2-oxazole
CID 130708444
4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;trichloride
CID 158814278
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600
5-(5,6-dimethylpyridazin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 142380148
3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 52903741
(7-methoxynaphthalen-2-yl) 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 134047035
3-methyl-5-[5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]methyl]-2-pyridinyl]-1,2,4-oxadiazole
CID 155265652

Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole (CID 144912637) is ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole is CC.COc1ccnc(-c2nc(C)no2)c1.
What is the InChIKey of ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is BREBTRDACJTIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2.C2H6/c1-6-11-9(14-12-6)8-5-7(13-2)3-4-10-8;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole?
ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 221.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 144912637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).