2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate

C25H18N2O3 — CID 142505386

IUPAC2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate
SMILESO=C(OC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C25H18N2O3/c28-24(30-21-14-18-7-3-4-8-19(18)15-21)23-22(26-25-27(23)11-12-29-25)20-10-9-16-5-1-2-6-17(16)13-20/h1-13,21H,14-15H2
InChIKeyJFWHBRFUYAELFW-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.07
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate

2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate (PubChem CID 142505386) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate
PubChem CID142505386
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate
SMILESO=C(OC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C25H18N2O3/c28-24(30-21-14-18-7-3-4-8-19(18)15-21)23-22(26-25-27(23)11-12-29-25)20-10-9-16-5-1-2-6-17(16)13-20/h1-13,21H,14-15H2
InChIKeyJFWHBRFUYAELFW-UHFFFAOYSA-N
XLogP5.07
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate (CID 142505386) is 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate is O=C(OC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate?
The InChIKey is JFWHBRFUYAELFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c28-24(30-21-14-18-7-3-4-8-19(18)15-21)23-22(26-25-27(23)11-12-29-25)20-10-9-16-5-1-2-6-17(16)13-20/h1-13,21H,14-15H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate?
2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxylate is sourced from PubChem (CID 142505386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).