9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

C22H20N2O3 — CID 86295675

IUPAC9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C1(c3ccccc3)OCCCN1C2=O
InChIInChI=1S/C22H20N2O3/c1-14-20(15(2)27-23-14)16-9-10-18-19(13-16)22(17-7-4-3-5-8-17)24(21(18)25)11-6-12-26-22/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyWRHQFNWCTUXMLM-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.04
Rot. Bonds2

About 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (PubChem CID 86295675) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.

Molecular Properties

Compound Name9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
PubChem CID86295675
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C1(c3ccccc3)OCCCN1C2=O
InChIInChI=1S/C22H20N2O3/c1-14-20(15(2)27-23-14)16-9-10-18-19(13-16)22(17-7-4-3-5-8-17)24(21(18)25)11-6-12-26-22/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKeyWRHQFNWCTUXMLM-UHFFFAOYSA-N
XLogP4.04
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-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 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The IUPAC name of 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (CID 86295675) is 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.
What is the SMILES notation for 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The canonical SMILES for 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is Cc1noc(C)c1-c1ccc2c(c1)C1(c3ccccc3)OCCCN1C2=O.
What is the InChIKey of 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The InChIKey is WRHQFNWCTUXMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-20(15(2)27-23-14)16-9-10-18-19(13-16)22(17-7-4-3-5-8-17)24(21(18)25)11-6-12-26-22/h3-5,7-10,13H,6,11-12H2,1-2H3.
What are the key properties of 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one has a molecular weight of 360.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethyl-1,2-oxazol-4-yl)-10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is sourced from PubChem (CID 86295675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).