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

C21H17N3O5 — CID 4900186

IUPACN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccco3)n2)cc1OC
InChIInChI=1S/C21H17N3O5/c1-26-16-10-9-13(12-18(16)27-2)19-23-21(29-24-19)14-6-3-4-7-15(14)22-20(25)17-8-5-11-28-17/h3-12H,1-2H3,(H,22,25)
InChIKeyVWWPSMHHGVYPPR-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.27
Rot. Bonds6

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

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 4900186) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID4900186
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccco3)n2)cc1OC
InChIInChI=1S/C21H17N3O5/c1-26-16-10-9-13(12-18(16)27-2)19-23-21(29-24-19)14-6-3-4-7-15(14)22-20(25)17-8-5-11-28-17/h3-12H,1-2H3,(H,22,25)
InChIKeyVWWPSMHHGVYPPR-UHFFFAOYSA-N
XLogP4.27
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487
(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 30332465
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30331950
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
CID 30330604
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methoxybenzamide
CID 30330455
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
2-iodo-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 43903830
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (CID 4900186) is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccco3)n2)cc1OC.
What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is VWWPSMHHGVYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-26-16-10-9-13(12-18(16)27-2)19-23-21(29-24-19)14-6-3-4-7-15(14)22-20(25)17-8-5-11-28-17/h3-12H,1-2H3,(H,22,25).
What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 4900186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).