2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone

C20H21N5O2 — CID 134073352

IUPAC2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone
SMILESCN(C)CC(=O)N1Cc2cc(Nc3cccnc3)ccc2C1c1cnco1
InChIInChI=1S/C20H21N5O2/c1-24(2)12-19(26)25-11-14-8-15(23-16-4-3-7-21-9-16)5-6-17(14)20(25)18-10-22-13-27-18/h3-10,13,20,23H,11-12H2,1-2H3
InChIKeyWFLHVJVCWXAGEX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.81
Rot. Bonds5

About 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone

2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone (PubChem CID 134073352) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone
PubChem CID134073352
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone
SMILESCN(C)CC(=O)N1Cc2cc(Nc3cccnc3)ccc2C1c1cnco1
InChIInChI=1S/C20H21N5O2/c1-24(2)12-19(26)25-11-14-8-15(23-16-4-3-7-21-9-16)5-6-17(14)20(25)18-10-22-13-27-18/h3-10,13,20,23H,11-12H2,1-2H3
InChIKeyWFLHVJVCWXAGEX-UHFFFAOYSA-N
XLogP2.81
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone (CID 134073352) is 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone is CN(C)CC(=O)N1Cc2cc(Nc3cccnc3)ccc2C1c1cnco1.
What is the InChIKey of 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone?
The InChIKey is WFLHVJVCWXAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(2)12-19(26)25-11-14-8-15(23-16-4-3-7-21-9-16)5-6-17(14)20(25)18-10-22-13-27-18/h3-10,13,20,23H,11-12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone?
2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone has a molecular weight of 363.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[1-(1,3-oxazol-5-yl)-5-(pyridin-3-ylamino)-1,3-dihydroisoindol-2-yl]ethanone is sourced from PubChem (CID 134073352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).