N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide

C24H18N4O2 — CID 142505462

IUPACN-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NN1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C24H18N4O2/c29-23(26-27-14-19-7-3-4-8-20(19)15-27)22-21(25-24-28(22)11-12-30-24)18-10-9-16-5-1-2-6-17(16)13-18/h1-13H,14-15H2,(H,26,29)
InChIKeyNBRQIQVHSIHQGK-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.41
Rot. Bonds3

About N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide

N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 142505462) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID142505462
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NN1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C24H18N4O2/c29-23(26-27-14-19-7-3-4-8-20(19)15-27)22-21(25-24-28(22)11-12-30-24)18-10-9-16-5-1-2-6-17(16)13-18/h1-13H,14-15H2,(H,26,29)
InChIKeyNBRQIQVHSIHQGK-UHFFFAOYSA-N
XLogP4.41
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 142505462) is N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide is O=C(NN1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is NBRQIQVHSIHQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-23(26-27-14-19-7-3-4-8-20(19)15-27)22-21(25-24-28(22)11-12-30-24)18-10-9-16-5-1-2-6-17(16)13-18/h1-13H,14-15H2,(H,26,29).
What are the key properties of N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroisoindol-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 142505462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).