5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one

C19H17N3O2 — CID 134810445

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one
SMILESCc1noc(C)c1-c1cc2c(c(-c3cccnc3)c1)C(=O)N(C)C2
InChIInChI=1S/C19H17N3O2/c1-11-17(12(2)24-21-11)14-7-15-10-22(3)19(23)18(15)16(8-14)13-5-4-6-20-9-13/h4-9H,10H2,1-3H3
InChIKeyWTWIEZNGBZZLQJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.61
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 134810445) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one
PubChem CID134810445
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one
SMILESCc1noc(C)c1-c1cc2c(c(-c3cccnc3)c1)C(=O)N(C)C2
InChIInChI=1S/C19H17N3O2/c1-11-17(12(2)24-21-11)14-7-15-10-22(3)19(23)18(15)16(8-14)13-5-4-6-20-9-13/h4-9H,10H2,1-3H3
InChIKeyWTWIEZNGBZZLQJ-UHFFFAOYSA-N
XLogP3.61
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one (CID 134810445) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one is Cc1noc(C)c1-c1cc2c(c(-c3cccnc3)c1)C(=O)N(C)C2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one?
The InChIKey is WTWIEZNGBZZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11-17(12(2)24-21-11)14-7-15-10-22(3)19(23)18(15)16(8-14)13-5-4-6-20-9-13/h4-9H,10H2,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one has a molecular weight of 319.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-pyridin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 134810445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).