ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate

C22H23N3O4 — CID 23723750

IUPACethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C22H23N3O4/c1-3-28-21(27)15-25(2)20(26)14-13-19-23-24-22(29-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3
InChIKeyCDQHQYZIGLEETI-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.36
Rot. Bonds8

About ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate

ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate (PubChem CID 23723750) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate
PubChem CID23723750
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Nameethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C22H23N3O4/c1-3-28-21(27)15-25(2)20(26)14-13-19-23-24-22(29-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3
InChIKeyCDQHQYZIGLEETI-UHFFFAOYSA-N
XLogP3.36
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate (CID 23723750) is ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate is CCOC(=O)CN(C)C(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate?
The InChIKey is CDQHQYZIGLEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-28-21(27)15-25(2)20(26)14-13-19-23-24-22(29-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3.
What are the key properties of ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate?
ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate has a molecular weight of 393.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]amino]acetate is sourced from PubChem (CID 23723750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).