N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide

C22H26N4O6 — CID 10950296

IUPACN-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide
SMILESCOc1cc(C2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CNC=O)cc(OC)c1OC
InChIInChI=1S/C22H26N4O6/c1-25(2)16-8-6-14(7-9-16)21-24-26(19(28)12-23-13-27)22(32-21)15-10-17(29-3)20(31-5)18(11-15)30-4/h6-11,13,22H,12H2,1-5H3,(H,23,27)
InChIKeyVPXSWYHLQBFKQP-UHFFFAOYSA-N
MW442.47 g/mol
LogP1.74
Rot. Bonds9

About N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide

N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide (PubChem CID 10950296) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide
PubChem CID10950296
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide
SMILESCOc1cc(C2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CNC=O)cc(OC)c1OC
InChIInChI=1S/C22H26N4O6/c1-25(2)16-8-6-14(7-9-16)21-24-26(19(28)12-23-13-27)22(32-21)15-10-17(29-3)20(31-5)18(11-15)30-4/h6-11,13,22H,12H2,1-5H3,(H,23,27)
InChIKeyVPXSWYHLQBFKQP-UHFFFAOYSA-N
XLogP1.74
TPSA101.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide?
The IUPAC name of N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide (CID 10950296) is N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide.
What is the SMILES notation for N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide?
The canonical SMILES for N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide is COc1cc(C2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CNC=O)cc(OC)c1OC.
What is the InChIKey of N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide?
The InChIKey is VPXSWYHLQBFKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-25(2)16-8-6-14(7-9-16)21-24-26(19(28)12-23-13-27)22(32-21)15-10-17(29-3)20(31-5)18(11-15)30-4/h6-11,13,22H,12H2,1-5H3,(H,23,27).
What are the key properties of N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide?
N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide has a molecular weight of 442.47 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]-2-oxoethyl]formamide is sourced from PubChem (CID 10950296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).