N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide

C24H17Cl2N3O2 — CID 137368275

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)c(Cl)c1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C24H17Cl2N3O2/c25-19-8-5-15(13-20(19)26)9-10-27-23(30)22-21(28-24-29(22)11-12-31-24)18-7-6-16-3-1-2-4-17(16)14-18/h1-8,11-14H,9-10H2,(H,27,30)
InChIKeySKSYRJCAUWXIOA-UHFFFAOYSA-N
MW450.33 g/mol
LogP6.03
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide

N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 137368275) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID137368275
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)c(Cl)c1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C24H17Cl2N3O2/c25-19-8-5-15(13-20(19)26)9-10-27-23(30)22-21(28-24-29(22)11-12-31-24)18-7-6-16-3-1-2-4-17(16)14-18/h1-8,11-14H,9-10H2,(H,27,30)
InChIKeySKSYRJCAUWXIOA-UHFFFAOYSA-N
XLogP6.03
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 137368275) is N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide is O=C(NCCc1ccc(Cl)c(Cl)c1)c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is SKSYRJCAUWXIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c25-19-8-5-15(13-20(19)26)9-10-27-23(30)22-21(28-24-29(22)11-12-31-24)18-7-6-16-3-1-2-4-17(16)14-18/h1-8,11-14H,9-10H2,(H,27,30).
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide?
N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 450.33 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 137368275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).