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

C19H19N3O3 — CID 129402676

IUPAC3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc([C@@H]3CCCO[C@H]3c3ccccc3)n2)cn1
InChIInChI=1S/C19H19N3O3/c1-23-16-10-9-14(12-20-16)18-21-19(25-22-18)15-8-5-11-24-17(15)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15,17H,5,8,11H2,1H3/t15-,17+/m1/s1
InChIKeyQWIQZTWCTIUGRE-WBVHZDCISA-N
MW337.38 g/mol
LogP3.78
Rot. Bonds4

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

3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole (PubChem CID 129402676) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole
PubChem CID129402676
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc([C@@H]3CCCO[C@H]3c3ccccc3)n2)cn1
InChIInChI=1S/C19H19N3O3/c1-23-16-10-9-14(12-20-16)18-21-19(25-22-18)15-8-5-11-24-17(15)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15,17H,5,8,11H2,1H3/t15-,17+/m1/s1
InChIKeyQWIQZTWCTIUGRE-WBVHZDCISA-N
XLogP3.78
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840977
5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131384
3-(6-methoxy-3-pyridinyl)-5-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1,2,4-oxadiazole
CID 99838236
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
[6-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
CID 127995920
5-[(1S,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-(6-phenoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 98359796
5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 120840978
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958632
3-(6-piperidin-1-yl-3-pyridinyl)-5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazole
CID 124851589
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole (CID 129402676) is 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole is COc1ccc(-c2noc([C@@H]3CCCO[C@H]3c3ccccc3)n2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole?
The InChIKey is QWIQZTWCTIUGRE-WBVHZDCISA-N. The full InChI is InChI=1S/C19H19N3O3/c1-23-16-10-9-14(12-20-16)18-21-19(25-22-18)15-8-5-11-24-17(15)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15,17H,5,8,11H2,1H3/t15-,17+/m1/s1.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole?
3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129402676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).