N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide

C25H19N3O2 — CID 142505470

IUPACN-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1c(-c2ccc3ccccc3c2)nc2occn12)C1Cc2ccccc2C1
InChIInChI=1S/C25H19N3O2/c29-24(21-14-18-7-3-4-8-19(18)15-21)27-23-22(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)
InChIKeyCKWBMSXYEFLNEA-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.10
Rot. Bonds3

About N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide

N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 142505470) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID142505470
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC NameN-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1c(-c2ccc3ccccc3c2)nc2occn12)C1Cc2ccccc2C1
InChIInChI=1S/C25H19N3O2/c29-24(21-14-18-7-3-4-8-19(18)15-21)27-23-22(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)
InChIKeyCKWBMSXYEFLNEA-UHFFFAOYSA-N
XLogP5.10
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 142505470) is N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1c(-c2ccc3ccccc3c2)nc2occn12)C1Cc2ccccc2C1.
What is the InChIKey of N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is CKWBMSXYEFLNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-24(21-14-18-7-3-4-8-19(18)15-21)27-23-22(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-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 142505470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).