N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide

C22H18N2O3 — CID 59370579

IUPACN-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide
SMILESCC(NC(=O)n1oc(=O)cc1-c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H18N2O3/c1-15(18-13-7-11-16-8-5-6-12-19(16)18)23-22(26)24-20(14-21(25)27-24)17-9-3-2-4-10-17/h2-15H,1H3,(H,23,26)
InChIKeyAQBWWDRMBKWPJK-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.58
Rot. Bonds3

About N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide

N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide (PubChem CID 59370579) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide
PubChem CID59370579
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide
SMILESCC(NC(=O)n1oc(=O)cc1-c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H18N2O3/c1-15(18-13-7-11-16-8-5-6-12-19(16)18)23-22(26)24-20(14-21(25)27-24)17-9-3-2-4-10-17/h2-15H,1H3,(H,23,26)
InChIKeyAQBWWDRMBKWPJK-UHFFFAOYSA-N
XLogP4.58
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide (CID 59370579) is N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide is CC(NC(=O)n1oc(=O)cc1-c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide?
The InChIKey is AQBWWDRMBKWPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15(18-13-7-11-16-8-5-6-12-19(16)18)23-22(26)24-20(14-21(25)27-24)17-9-3-2-4-10-17/h2-15H,1H3,(H,23,26).
What are the key properties of N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide?
N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide is sourced from PubChem (CID 59370579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).