5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C16H15N3O3 — CID 1105282

IUPAC5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3cccnc3)no2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-20-13-6-5-11(8-14(13)21-2)9-15-18-16(19-22-15)12-4-3-7-17-10-12/h3-8,10H,9H2,1-2H3
InChIKeyFWRGCRNAODJFON-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.74
Rot. Bonds5

About 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 1105282) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID1105282
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3cccnc3)no2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-20-13-6-5-11(8-14(13)21-2)9-15-18-16(19-22-15)12-4-3-7-17-10-12/h3-8,10H,9H2,1-2H3
InChIKeyFWRGCRNAODJFON-UHFFFAOYSA-N
XLogP2.74
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-(3,4-dimethoxyphenyl)acetate
CID 55568618
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51310511
5-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4613970
3-pyridin-3-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912383
N-[4-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823187
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55499949
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
1-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9058292
2,5-dimethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562714
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
5-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-methoxyaniline
CID 100559808
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
CID 53167469

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 1105282) is 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is COc1ccc(Cc2nc(-c3cccnc3)no2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is FWRGCRNAODJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-13-6-5-11(8-14(13)21-2)9-15-18-16(19-22-15)12-4-3-7-17-10-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 297.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 1105282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).