N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide

C22H20N2O3 — CID 118513803

IUPACN-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccc2ccccc2c1)n1c(=O)oc2ccccc21
InChIInChI=1S/C22H20N2O3/c25-21(24-19-10-3-4-11-20(19)27-22(24)26)23-14-6-5-7-16-12-13-17-8-1-2-9-18(17)15-16/h1-4,8-13,15H,5-7,14H2,(H,23,25)
InChIKeyXPDALBOPUCEZBM-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.33
Rot. Bonds5

About N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide

N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide (PubChem CID 118513803) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide
PubChem CID118513803
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESO=C(NCCCCc1ccc2ccccc2c1)n1c(=O)oc2ccccc21
InChIInChI=1S/C22H20N2O3/c25-21(24-19-10-3-4-11-20(19)27-22(24)26)23-14-6-5-7-16-12-13-17-8-1-2-9-18(17)15-16/h1-4,8-13,15H,5-7,14H2,(H,23,25)
InChIKeyXPDALBOPUCEZBM-UHFFFAOYSA-N
XLogP4.33
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.33
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-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The IUPAC name of N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide (CID 118513803) is N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide is O=C(NCCCCc1ccc2ccccc2c1)n1c(=O)oc2ccccc21.
What is the InChIKey of N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The InChIKey is XPDALBOPUCEZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(24-19-10-3-4-11-20(19)27-22(24)26)23-14-6-5-7-16-12-13-17-8-1-2-9-18(17)15-16/h1-4,8-13,15H,5-7,14H2,(H,23,25).
What are the key properties of N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide?
N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylbutyl)-2-oxo-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 118513803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).