2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one

C22H23N3O4 — CID 10222178

IUPAC2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one
SMILESCCOc1cc([C@H](Cc2nnc(C)o2)N2Cc3ccccc3C2=O)ccc1OC
InChIInChI=1S/C22H23N3O4/c1-4-28-20-11-15(9-10-19(20)27-3)18(12-21-24-23-14(2)29-21)25-13-16-7-5-6-8-17(16)22(25)26/h5-11,18H,4,12-13H2,1-3H3/t18-/m0/s1
InChIKeyDCXXFNKDFYYSDI-SFHVURJKSA-N
MW393.44 g/mol
LogP3.73
Rot. Bonds7

About 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one

2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one (PubChem CID 10222178) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one
PubChem CID10222178
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one
SMILESCCOc1cc([C@H](Cc2nnc(C)o2)N2Cc3ccccc3C2=O)ccc1OC
InChIInChI=1S/C22H23N3O4/c1-4-28-20-11-15(9-10-19(20)27-3)18(12-21-24-23-14(2)29-21)25-13-16-7-5-6-8-17(16)22(25)26/h5-11,18H,4,12-13H2,1-3H3/t18-/m0/s1
InChIKeyDCXXFNKDFYYSDI-SFHVURJKSA-N
XLogP3.73
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one?
The IUPAC name of 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one (CID 10222178) is 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one is CCOc1cc([C@H](Cc2nnc(C)o2)N2Cc3ccccc3C2=O)ccc1OC.
What is the InChIKey of 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one?
The InChIKey is DCXXFNKDFYYSDI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-28-20-11-15(9-10-19(20)27-3)18(12-21-24-23-14(2)29-21)25-13-16-7-5-6-8-17(16)22(25)26/h5-11,18H,4,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one?
2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one has a molecular weight of 393.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 10222178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).