N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide

C17H16N2O3 — CID 46087310

IUPACN-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C17H16N2O3/c1-21-9-8-18-17(20)15-11-16(22-19-15)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyCBGLIDGKUCALKX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.87
Rot. Bonds5

About N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide

N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 46087310) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID46087310
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C17H16N2O3/c1-21-9-8-18-17(20)15-11-16(22-19-15)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyCBGLIDGKUCALKX-UHFFFAOYSA-N
XLogP2.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide (CID 46087310) is N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide is COCCNC(=O)c1cc(-c2ccc3ccccc3c2)on1.
What is the InChIKey of N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is CBGLIDGKUCALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-9-8-18-17(20)15-11-16(22-19-15)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).