N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide

C22H19N3O6 — CID 1120379

IUPACN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H19N3O6/c1-27-17-11-14(12-18(28-2)19(17)29-3)20(26)23-15-8-6-13(7-9-15)21-24-25-22(31-21)16-5-4-10-30-16/h4-12H,1-3H3,(H,23,26)
InChIKeyWJOLZTUGNYMJRR-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.27
Rot. Bonds7

About N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide

N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 1120379) has the molecular formula C22H19N3O6 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID1120379
Molecular FormulaC22H19N3O6
Molecular Weight421.41 g/mol
Exact Mass421.13
IUPAC NameN-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H19N3O6/c1-27-17-11-14(12-18(28-2)19(17)29-3)20(26)23-15-8-6-13(7-9-15)21-24-25-22(31-21)16-5-4-10-30-16/h4-12H,1-3H3,(H,23,26)
InChIKeyWJOLZTUGNYMJRR-UHFFFAOYSA-N
XLogP4.27
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide (CID 1120379) is N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WJOLZTUGNYMJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6/c1-27-17-11-14(12-18(28-2)19(17)29-3)20(26)23-15-8-6-13(7-9-15)21-24-25-22(31-21)16-5-4-10-30-16/h4-12H,1-3H3,(H,23,26).
What are the key properties of N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 421.41 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1120379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).