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

C25H20N4O2 — CID 142505391

IUPAC6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NC1CN(c2ccccc2)C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C25H20N4O2/c30-24(26-20-15-28(16-20)21-8-2-1-3-9-21)23-22(27-25-29(23)12-13-31-25)19-11-10-17-6-4-5-7-18(17)14-19/h1-14,20H,15-16H2,(H,26,30)
InChIKeyJAZKJFSPGVOWGB-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.37
Rot. Bonds4

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

6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 142505391) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound Name6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID142505391
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NC1CN(c2ccccc2)C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C25H20N4O2/c30-24(26-20-15-28(16-20)21-8-2-1-3-9-21)23-22(27-25-29(23)12-13-31-25)19-11-10-17-6-4-5-7-18(17)14-19/h1-14,20H,15-16H2,(H,26,30)
InChIKeyJAZKJFSPGVOWGB-UHFFFAOYSA-N
XLogP4.37
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 142505391) is 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide.
What is the SMILES notation for 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide is O=C(NC1CN(c2ccccc2)C1)c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is JAZKJFSPGVOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-24(26-20-15-28(16-20)21-8-2-1-3-9-21)23-22(27-25-29(23)12-13-31-25)19-11-10-17-6-4-5-7-18(17)14-19/h1-14,20H,15-16H2,(H,26,30).
What are the key properties of 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide?
6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-N-(1-phenylazetidin-3-yl)imidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 142505391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).