[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate

C24H19N3O5 — CID 10432772

IUPAC[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate
SMILESCOc1ccc(-c2nnc(NC(=O)C(OC(=O)c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C24H19N3O5/c1-30-19-14-12-17(13-15-19)22-26-27-24(32-22)25-21(28)20(16-8-4-2-5-9-16)31-23(29)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,25,27,28)
InChIKeyVSGDSRIUMHNPOY-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.28
Rot. Bonds7

About [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate

[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate (PubChem CID 10432772) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate.

Molecular Properties

Compound Name[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate
PubChem CID10432772
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate
SMILESCOc1ccc(-c2nnc(NC(=O)C(OC(=O)c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C24H19N3O5/c1-30-19-14-12-17(13-15-19)22-26-27-24(32-22)25-21(28)20(16-8-4-2-5-9-16)31-23(29)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,25,27,28)
InChIKeyVSGDSRIUMHNPOY-UHFFFAOYSA-N
XLogP4.28
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate with MolForge

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Related Compounds

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555
1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521325
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 16572310
[2-[(E)-3-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]anilino]-3-oxoprop-1-enyl]phenyl] benzoate
CID 45020507
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7862107
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846670
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate?
The IUPAC name of [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate (CID 10432772) is [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate.
What is the SMILES notation for [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate?
The canonical SMILES for [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate is COc1ccc(-c2nnc(NC(=O)C(OC(=O)c3ccccc3)c3ccccc3)o2)cc1.
What is the InChIKey of [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate?
The InChIKey is VSGDSRIUMHNPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-30-19-14-12-17(13-15-19)22-26-27-24(32-22)25-21(28)20(16-8-4-2-5-9-16)31-23(29)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,25,27,28).
What are the key properties of [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate?
[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate has a molecular weight of 429.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] benzoate is sourced from PubChem (CID 10432772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).