2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole

C20H16N2O2 — CID 71377919

IUPAC2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)c2cc3c(C4=NCCO4)cccc3cc2c1
InChIInChI=1S/C20H16N2O2/c1-3-13-11-14-4-2-6-16(20-22-8-10-24-20)18(14)12-17(13)15(5-1)19-21-7-9-23-19/h1-6,11-12H,7-10H2
InChIKeyZLNVTTLNVCRWMF-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.55
Rot. Bonds2

About 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole

2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 71377919) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole
PubChem CID71377919
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)c2cc3c(C4=NCCO4)cccc3cc2c1
InChIInChI=1S/C20H16N2O2/c1-3-13-11-14-4-2-6-16(20-22-8-10-24-20)18(14)12-17(13)15(5-1)19-21-7-9-23-19/h1-6,11-12H,7-10H2
InChIKeyZLNVTTLNVCRWMF-UHFFFAOYSA-N
XLogP3.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole (CID 71377919) is 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole is c1cc(C2=NCCO2)c2cc3c(C4=NCCO4)cccc3cc2c1.
What is the InChIKey of 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZLNVTTLNVCRWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-3-13-11-14-4-2-6-16(20-22-8-10-24-20)18(14)12-17(13)15(5-1)19-21-7-9-23-19/h1-6,11-12H,7-10H2.
What are the key properties of 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole?
2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 316.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4,5-dihydro-1,3-oxazol-2-yl)anthracen-1-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 71377919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).