6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde

C16H10N2O2 — CID 142505392

IUPAC6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C16H10N2O2/c19-10-14-15(17-16-18(14)7-8-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyTZPVALFQXXZKLG-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.56
Rot. Bonds2

About 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde

6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde (PubChem CID 142505392) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde.

Molecular Properties

Compound Name6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde
PubChem CID142505392
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C16H10N2O2/c19-10-14-15(17-16-18(14)7-8-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyTZPVALFQXXZKLG-UHFFFAOYSA-N
XLogP3.56
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 142505396
CID 142505396
CID 142505432
CID 142505432
CID 142505434
CID 142505434
CID 142505445
CID 142505445
CID 142505495
CID 142505495
CID 142505390
CID 142505390
CID 155535509
CID 155535509
CID 137368081
CID 137368081
CID 137368275
CID 137368275
CID 137368304
CID 137368304
CID 142505371
CID 142505371
CID 142505372
CID 142505372

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde?
The IUPAC name of 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde (CID 142505392) is 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde.
What is the SMILES notation for 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde?
The canonical SMILES for 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde is O=Cc1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde?
The InChIKey is TZPVALFQXXZKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-10-14-15(17-16-18(14)7-8-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H.
What are the key properties of 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde?
6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde has a molecular weight of 262.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde is sourced from PubChem (CID 142505392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).