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

C19H18N4O3 — CID 92595473

IUPAC2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CC[C@@H]2c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C19H18N4O3/c1-25-15-6-4-13(5-7-15)11-17(24)23-10-8-16(23)19-21-18(22-26-19)14-3-2-9-20-12-14/h2-7,9,12,16H,8,10-11H2,1H3/t16-/m1/s1
InChIKeyGHQMBSBJBHNQHA-MRXNPFEDSA-N
MW350.38 g/mol
LogP2.66
Rot. Bonds5

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

2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (PubChem CID 92595473) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
PubChem CID92595473
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CC[C@@H]2c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C19H18N4O3/c1-25-15-6-4-13(5-7-15)11-17(24)23-10-8-16(23)19-21-18(22-26-19)14-3-2-9-20-12-14/h2-7,9,12,16H,8,10-11H2,1H3/t16-/m1/s1
InChIKeyGHQMBSBJBHNQHA-MRXNPFEDSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92599228
2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 110225003
2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92570901
2-(4-methoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125128716
1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75527839
phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
1-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 95057503
2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
(3-propan-2-yl-1,2-oxazol-5-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225014
1-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 125127150
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
1-[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97470514

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (CID 92595473) is 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is COc1ccc(CC(=O)N2CC[C@@H]2c2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The InChIKey is GHQMBSBJBHNQHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-15-6-4-13(5-7-15)11-17(24)23-10-8-16(23)19-21-18(22-26-19)14-3-2-9-20-12-14/h2-7,9,12,16H,8,10-11H2,1H3/t16-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone has a molecular weight of 350.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 92595473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).