3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole

C12H14N4O2 — CID 120840977

IUPAC3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc([C@H]3CCNC3)n2)cn1
InChIInChI=1S/C12H14N4O2/c1-17-10-3-2-8(7-14-10)11-15-12(18-16-11)9-4-5-13-6-9/h2-3,7,9,13H,4-6H2,1H3/t9-/m0/s1
InChIKeyZIIJXNHHAWYWNH-VIFPVBQESA-N
MW246.27 g/mol
LogP1.22
Rot. Bonds3

About 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole

3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 120840977) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID120840977
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc([C@H]3CCNC3)n2)cn1
InChIInChI=1S/C12H14N4O2/c1-17-10-3-2-8(7-14-10)11-15-12(18-16-11)9-4-5-13-6-9/h2-3,7,9,13H,4-6H2,1H3/t9-/m0/s1
InChIKeyZIIJXNHHAWYWNH-VIFPVBQESA-N
XLogP1.22
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
N-methyl-5-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 155022146
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 120840978
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
3-(6-methoxy-3-pyridinyl)-5-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1,2,4-oxadiazole
CID 99838236

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 120840977) is 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole is COc1ccc(-c2noc([C@H]3CCNC3)n2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZIIJXNHHAWYWNH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O2/c1-17-10-3-2-8(7-14-10)11-15-12(18-16-11)9-4-5-13-6-9/h2-3,7,9,13H,4-6H2,1H3/t9-/m0/s1.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 246.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 120840977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).