3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one

C22H19N3O3 — CID 45245107

IUPAC3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one
SMILESO=C1NC(CC(=O)N2CCc3onc(-c4ccccc4)c3C2)c2ccccc21
InChIInChI=1S/C22H19N3O3/c26-20(12-18-15-8-4-5-9-16(15)22(27)23-18)25-11-10-19-17(13-25)21(24-28-19)14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,23,27)
InChIKeyRQUSIMXETQDHMC-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.10
Rot. Bonds3

About 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one

3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one (PubChem CID 45245107) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one
PubChem CID45245107
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one
SMILESO=C1NC(CC(=O)N2CCc3onc(-c4ccccc4)c3C2)c2ccccc21
InChIInChI=1S/C22H19N3O3/c26-20(12-18-15-8-4-5-9-16(15)22(27)23-18)25-11-10-19-17(13-25)21(24-28-19)14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,23,27)
InChIKeyRQUSIMXETQDHMC-UHFFFAOYSA-N
XLogP3.10
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one
CID 169411144
3-hydroxy-1-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 56749090
(2R)-2-hydroxy-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 95212543
(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56744273
(2R)-2-methoxy-2-phenyl-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 29022575
(3S)-3-[2-[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 95399045
3-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 156609502
(3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7660229
5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56743156
N-[1-oxo-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-2-yl]methanesulfonamide
CID 56747164
[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 42245741
(2-methylsulfanylphenyl)-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 25450039

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one (CID 45245107) is 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one is O=C1NC(CC(=O)N2CCc3onc(-c4ccccc4)c3C2)c2ccccc21.
What is the InChIKey of 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one?
The InChIKey is RQUSIMXETQDHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-20(12-18-15-8-4-5-9-16(15)22(27)23-18)25-11-10-19-17(13-25)21(24-28-19)14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,23,27).
What are the key properties of 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one?
3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one has a molecular weight of 373.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 45245107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).