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

C26H21N3O2 — CID 142505371

IUPACN-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NCC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C26H21N3O2/c30-25(27-16-17-13-19-6-3-4-7-20(19)14-17)24-23(28-26-29(24)11-12-31-26)22-10-9-18-5-1-2-8-21(18)15-22/h1-12,15,17H,13-14,16H2,(H,27,30)
InChIKeyAAOQNGOQDRVRJL-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.89
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 142505371) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID142505371
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC NameN-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NCC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C26H21N3O2/c30-25(27-16-17-13-19-6-3-4-7-20(19)14-17)24-23(28-26-29(24)11-12-31-26)22-10-9-18-5-1-2-8-21(18)15-22/h1-12,15,17H,13-14,16H2,(H,27,30)
InChIKeyAAOQNGOQDRVRJL-UHFFFAOYSA-N
XLogP4.89
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 142505371) is N-(2,3-dihydro-1H-inden-2-ylmethyl)-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-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide is O=C(NCC1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is AAOQNGOQDRVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c30-25(27-16-17-13-19-6-3-4-7-20(19)14-17)24-23(28-26-29(24)11-12-31-26)22-10-9-18-5-1-2-8-21(18)15-22/h1-12,15,17H,13-14,16H2,(H,27,30).
What are the key properties of N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-ylmethyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 142505371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).