(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate

C22H23N3O6 — CID 2450788

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1OCC
InChIInChI=1S/C22H23N3O6/c1-3-28-17-11-10-16(12-18(17)29-4-2)21(27)23-13-20(26)30-14-19-24-25-22(31-19)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)
InChIKeyYZGPETZTQCXLBW-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.01
Rot. Bonds10

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate (PubChem CID 2450788) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
PubChem CID2450788
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1OCC
InChIInChI=1S/C22H23N3O6/c1-3-28-17-11-10-16(12-18(17)29-4-2)21(27)23-13-20(26)30-14-19-24-25-22(31-19)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)
InChIKeyYZGPETZTQCXLBW-UHFFFAOYSA-N
XLogP3.01
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate (CID 2450788) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1OCC.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate?
The InChIKey is YZGPETZTQCXLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-3-28-17-11-10-16(12-18(17)29-4-2)21(27)23-13-20(26)30-14-19-24-25-22(31-19)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate has a molecular weight of 425.44 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2450788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).