[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C19H18N4O4 — CID 121096523

IUPAC[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)c3cccnc3OC)C2)n1
InChIInChI=1S/C19H18N4O4/c1-25-15-8-4-3-6-13(15)16-21-17(27-22-16)12-10-23(11-12)19(24)14-7-5-9-20-18(14)26-2/h3-9,12H,10-11H2,1-2H3
InChIKeyYHGZFLXWMIMVSN-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.39
Rot. Bonds5

About [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 121096523) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID121096523
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)c3cccnc3OC)C2)n1
InChIInChI=1S/C19H18N4O4/c1-25-15-8-4-3-6-13(15)16-21-17(27-22-16)12-10-23(11-12)19(24)14-7-5-9-20-18(14)26-2/h3-9,12H,10-11H2,1-2H3
InChIKeyYHGZFLXWMIMVSN-UHFFFAOYSA-N
XLogP2.39
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121096569
(3,4-dimethoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096564
(4-methoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096558
(2-methoxy-3-pyridinyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098437
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 121096603
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-naphthalen-2-ylmethanone
CID 121096601
cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096669
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylethanone
CID 121096625
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121096639
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121096620

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 121096523) is [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ccccc1-c1noc(C2CN(C(=O)c3cccnc3OC)C2)n1.
What is the InChIKey of [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is YHGZFLXWMIMVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-25-15-8-4-3-6-13(15)16-21-17(27-22-16)12-10-23(11-12)19(24)14-7-5-9-20-18(14)26-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 366.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 121096523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).