N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide

C23H21N3O2 — CID 43973784

IUPACN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
SMILESCCc1ccc(Cc2nnc(NC(=O)Cc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C23H21N3O2/c1-2-16-10-12-17(13-11-16)14-22-25-26-23(28-22)24-21(27)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-13H,2,14-15H2,1H3,(H,24,26,27)
InChIKeyVPZFCTPQXQFARV-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.56
Rot. Bonds6

About N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide

N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 43973784) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID43973784
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
SMILESCCc1ccc(Cc2nnc(NC(=O)Cc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C23H21N3O2/c1-2-16-10-12-17(13-11-16)14-22-25-26-23(28-22)24-21(27)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-13H,2,14-15H2,1H3,(H,24,26,27)
InChIKeyVPZFCTPQXQFARV-UHFFFAOYSA-N
XLogP4.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide (CID 43973784) is N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide is CCc1ccc(Cc2nnc(NC(=O)Cc3cccc4ccccc34)o2)cc1.
What is the InChIKey of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is VPZFCTPQXQFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-16-10-12-17(13-11-16)14-22-25-26-23(28-22)24-21(27)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-13H,2,14-15H2,1H3,(H,24,26,27).
What are the key properties of N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide?
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 371.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 43973784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).