bis(4,5-dihydro-1,3-oxazole);1H-phenalene

C19H20N2O2 — CID 66750988

IUPACbis(4,5-dihydro-1,3-oxazole);1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.C1=NCCO1.C1=NCCO1
InChIInChI=1S/C13H10.2C3H5NO/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;2*1-2-5-3-4-1/h1-8H,9H2;2*3H,1-2H2
InChIKeyRASNJTZFEOTCDE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.50
Rot. Bonds

About bis(4,5-dihydro-1,3-oxazole);1H-phenalene

bis(4,5-dihydro-1,3-oxazole);1H-phenalene (PubChem CID 66750988) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazole);1H-phenalene.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazole);1H-phenalene
PubChem CID66750988
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namebis(4,5-dihydro-1,3-oxazole);1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.C1=NCCO1.C1=NCCO1
InChIInChI=1S/C13H10.2C3H5NO/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;2*1-2-5-3-4-1/h1-8H,9H2;2*3H,1-2H2
InChIKeyRASNJTZFEOTCDE-UHFFFAOYSA-N
XLogP3.50
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174546441
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CID 134539411
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CID 173399695
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CID 146465575
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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazole);1H-phenalene?
The IUPAC name of bis(4,5-dihydro-1,3-oxazole);1H-phenalene (CID 66750988) is bis(4,5-dihydro-1,3-oxazole);1H-phenalene.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazole);1H-phenalene?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazole);1H-phenalene is C1=Cc2cccc3cccc(c23)C1.C1=NCCO1.C1=NCCO1.
What is the InChIKey of bis(4,5-dihydro-1,3-oxazole);1H-phenalene?
The InChIKey is RASNJTZFEOTCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.2C3H5NO/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;2*1-2-5-3-4-1/h1-8H,9H2;2*3H,1-2H2.
What are the key properties of bis(4,5-dihydro-1,3-oxazole);1H-phenalene?
bis(4,5-dihydro-1,3-oxazole);1H-phenalene has a molecular weight of 308.38 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazole);1H-phenalene is sourced from PubChem (CID 66750988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).