[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate

C22H16N2O3 — CID 122370151

IUPAC[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C22H16N2O3/c1-14(2)22(25)26-17-12-10-16(11-13-17)20-23-24-21(27-20)19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,1H2,2H3
InChIKeyNQRYYEQBWIOATK-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.04
Rot. Bonds4

About [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate

[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate (PubChem CID 122370151) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate
PubChem CID122370151
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C22H16N2O3/c1-14(2)22(25)26-17-12-10-16(11-13-17)20-23-24-21(27-20)19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,1H2,2H3
InChIKeyNQRYYEQBWIOATK-UHFFFAOYSA-N
XLogP5.04
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate
CID 67087505
2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
CID 23561823
[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate
CID 146664163
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[4-[4-[4-(4-dibenzothiophen-4-yl-N-naphthalen-1-ylanilino)phenyl]-N-naphthalen-1-ylanilino]phenyl] 2-methylprop-2-enoate
CID 58058807
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250
[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate
CID 18668246
[4-[5-[3,5-bis[5-(4-acetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 118041982
[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130145

Frequently Asked Questions

What is the IUPAC name of [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate (CID 122370151) is [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.
What is the InChIKey of [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate?
The InChIKey is NQRYYEQBWIOATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-14(2)22(25)26-17-12-10-16(11-13-17)20-23-24-21(27-20)19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,1H2,2H3.
What are the key properties of [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate?
[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate has a molecular weight of 356.38 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 122370151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).