[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone

C19H18N4O3 — CID 121097608

IUPAC[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccccc1Cc1noc(C2CN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C19H18N4O3/c1-25-16-7-3-2-5-13(16)9-17-21-18(26-22-17)15-11-23(12-15)19(24)14-6-4-8-20-10-14/h2-8,10,15H,9,11-12H2,1H3
InChIKeyAOMCFOWHEKYKGL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.30
Rot. Bonds5

About [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone

[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 121097608) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone
PubChem CID121097608
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccccc1Cc1noc(C2CN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C19H18N4O3/c1-25-16-7-3-2-5-13(16)9-17-21-18(26-22-17)15-11-23(12-15)19(24)14-6-4-8-20-10-14/h2-8,10,15H,9,11-12H2,1H3
InChIKeyAOMCFOWHEKYKGL-UHFFFAOYSA-N
XLogP2.30
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-phenylmethanone
CID 121097488
3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylazetidine-1-carboxamide
CID 121097799
1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylbutan-1-one
CID 71784336
2-(3,4-dimethoxyphenyl)-1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121097560
1-[2-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121097611
2-(3-methoxyphenoxy)-1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121097548
[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 121097417
5-(1-ethylsulfonylazetidin-3-yl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 71784381
1-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 121097552
[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124945906
4-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 121097583
N-(2,4-dimethoxyphenyl)-3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 121097779

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone (CID 121097608) is [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone is COc1ccccc1Cc1noc(C2CN(C(=O)c3cccnc3)C2)n1.
What is the InChIKey of [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is AOMCFOWHEKYKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-16-7-3-2-5-13(16)9-17-21-18(26-22-17)15-11-23(12-15)19(24)14-6-4-8-20-10-14/h2-8,10,15H,9,11-12H2,1H3.
What are the key properties of [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone?
[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 350.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 121097608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).