10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

C14H13N3O2 — CID 67909407

IUPAC10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESO=C1c2ccccc2C2(n3ccnc3)OCCCN12
InChIInChI=1S/C14H13N3O2/c18-13-11-4-1-2-5-12(11)14(16-8-6-15-10-16)17(13)7-3-9-19-14/h1-2,4-6,8,10H,3,7,9H2
InChIKeyADSAHOMODGFHKR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.42
Rot. Bonds1

About 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (PubChem CID 67909407) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.

Molecular Properties

Compound Name10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
PubChem CID67909407
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESO=C1c2ccccc2C2(n3ccnc3)OCCCN12
InChIInChI=1S/C14H13N3O2/c18-13-11-4-1-2-5-12(11)14(16-8-6-15-10-16)17(13)7-3-9-19-14/h1-2,4-6,8,10H,3,7,9H2
InChIKeyADSAHOMODGFHKR-UHFFFAOYSA-N
XLogP1.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The IUPAC name of 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (CID 67909407) is 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.
What is the SMILES notation for 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The canonical SMILES for 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is O=C1c2ccccc2C2(n3ccnc3)OCCCN12.
What is the InChIKey of 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The InChIKey is ADSAHOMODGFHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-11-4-1-2-5-12(11)14(16-8-6-15-10-16)17(13)7-3-9-19-14/h1-2,4-6,8,10H,3,7,9H2.
What are the key properties of 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one has a molecular weight of 255.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-imidazol-1-yl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is sourced from PubChem (CID 67909407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).