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

C26H20N2O2 — CID 15315481

IUPAC2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(-c3c(C4=NCCO4)ccc4ccccc34)c(C3=NCCO3)ccc2c1
InChIInChI=1S/C26H20N2O2/c1-3-7-19-17(5-1)9-11-21(25-27-13-15-29-25)23(19)24-20-8-4-2-6-18(20)10-12-22(24)26-28-14-16-30-26/h1-12H,13-16H2
InChIKeyIJNKLRCWXDBOPJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.21
Rot. Bonds3

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

2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 15315481) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID15315481
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(-c3c(C4=NCCO4)ccc4ccccc34)c(C3=NCCO3)ccc2c1
InChIInChI=1S/C26H20N2O2/c1-3-7-19-17(5-1)9-11-21(25-27-13-15-29-25)23(19)24-20-8-4-2-6-18(20)10-12-22(24)26-28-14-16-30-26/h1-12H,13-16H2
InChIKeyIJNKLRCWXDBOPJ-UHFFFAOYSA-N
XLogP5.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (CID 15315481) is 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is c1ccc2c(-c3c(C4=NCCO4)ccc4ccccc34)c(C3=NCCO3)ccc2c1.
What is the InChIKey of 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IJNKLRCWXDBOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-3-7-19-17(5-1)9-11-21(25-27-13-15-29-25)23(19)24-20-8-4-2-6-18(20)10-12-22(24)26-28-14-16-30-26/h1-12H,13-16H2.
What are the key properties of 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 392.46 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15315481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).