2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone

C25H24N2O7 — CID 53378114

IUPAC2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone
SMILESCOc1cc(-c2ccc(C(=O)C(OC)c3ccc(-c4nnc(C)o4)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O7/c1-14-26-27-25(33-14)16-8-6-15(7-9-16)23(31-4)22(28)19-11-10-18(34-19)17-12-20(29-2)24(32-5)21(13-17)30-3/h6-13,23H,1-5H3
InChIKeyPKKVPRNPWSTNEC-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.90
Rot. Bonds9

About 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone

2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone (PubChem CID 53378114) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone
PubChem CID53378114
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone
SMILESCOc1cc(-c2ccc(C(=O)C(OC)c3ccc(-c4nnc(C)o4)cc3)o2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O7/c1-14-26-27-25(33-14)16-8-6-15(7-9-16)23(31-4)22(28)19-11-10-18(34-19)17-12-20(29-2)24(32-5)21(13-17)30-3/h6-13,23H,1-5H3
InChIKeyPKKVPRNPWSTNEC-UHFFFAOYSA-N
XLogP4.90
TPSA106.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone?
The IUPAC name of 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone (CID 53378114) is 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone.
What is the SMILES notation for 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone?
The canonical SMILES for 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone is COc1cc(-c2ccc(C(=O)C(OC)c3ccc(-c4nnc(C)o4)cc3)o2)cc(OC)c1OC.
What is the InChIKey of 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone?
The InChIKey is PKKVPRNPWSTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-14-26-27-25(33-14)16-8-6-15(7-9-16)23(31-4)22(28)19-11-10-18(34-19)17-12-20(29-2)24(32-5)21(13-17)30-3/h6-13,23H,1-5H3.
What are the key properties of 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone?
2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone has a molecular weight of 464.47 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-[5-(3,4,5-trimethoxyphenyl)furan-2-yl]ethanone is sourced from PubChem (CID 53378114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).