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

C23H20N2O2 — CID 56673461

IUPAC5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C23H20N2O2/c26-23(24-14-6-9-17-7-2-1-3-8-17)21-16-22(27-25-21)20-13-12-18-10-4-5-11-19(18)15-20/h1-5,7-8,10-13,15-16H,6,9,14H2,(H,24,26)
InChIKeyPSSGBGPGIWZUAW-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.86
Rot. Bonds6

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

5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 56673461) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID56673461
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C23H20N2O2/c26-23(24-14-6-9-17-7-2-1-3-8-17)21-16-22(27-25-21)20-13-12-18-10-4-5-11-19(18)15-20/h1-5,7-8,10-13,15-16H,6,9,14H2,(H,24,26)
InChIKeyPSSGBGPGIWZUAW-UHFFFAOYSA-N
XLogP4.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 56673461) is 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCc1ccccc1)c1cc(-c2ccc3ccccc3c2)on1.
What is the InChIKey of 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PSSGBGPGIWZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23(24-14-6-9-17-7-2-1-3-8-17)21-16-22(27-25-21)20-13-12-18-10-4-5-11-19(18)15-20/h1-5,7-8,10-13,15-16H,6,9,14H2,(H,24,26).
What are the key properties of 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56673461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).