N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide

C25H19N3O3 — CID 142505399

IUPACN-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NOC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C25H19N3O3/c29-24(27-31-21-14-18-7-3-4-8-19(18)15-21)23-22(26-25-28(23)11-12-30-25)20-10-9-16-5-1-2-6-17(16)13-20/h1-13,21H,14-15H2,(H,27,29)
InChIKeyGQVKJYFCIPABTB-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.58
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide

N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 142505399) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID142505399
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC NameN-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NOC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C25H19N3O3/c29-24(27-31-21-14-18-7-3-4-8-19(18)15-21)23-22(26-25-28(23)11-12-30-25)20-10-9-16-5-1-2-6-17(16)13-20/h1-13,21H,14-15H2,(H,27,29)
InChIKeyGQVKJYFCIPABTB-UHFFFAOYSA-N
XLogP4.58
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 142505399) is N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide is O=C(NOC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is GQVKJYFCIPABTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c29-24(27-31-21-14-18-7-3-4-8-19(18)15-21)23-22(26-25-28(23)11-12-30-25)20-10-9-16-5-1-2-6-17(16)13-20/h1-13,21H,14-15H2,(H,27,29).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yloxy)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 142505399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).