N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide

C21H23N3O5 — CID 90488273

IUPACN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
SMILESCOc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)C3CC3)n2)cc1OC
InChIInChI=1S/C21H23N3O5/c1-26-17-8-7-15(12-18(17)27-2)20-22-19(29-23-20)9-10-24(21(25)14-5-6-14)13-16-4-3-11-28-16/h3-4,7-8,11-12,14H,5-6,9-10,13H2,1-2H3
InChIKeyCOIZGLQVOUVRSE-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.33
Rot. Bonds9

About N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 90488273) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
PubChem CID90488273
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
SMILESCOc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)C3CC3)n2)cc1OC
InChIInChI=1S/C21H23N3O5/c1-26-17-8-7-15(12-18(17)27-2)20-22-19(29-23-20)9-10-24(21(25)14-5-6-14)13-16-4-3-11-28-16/h3-4,7-8,11-12,14H,5-6,9-10,13H2,1-2H3
InChIKeyCOIZGLQVOUVRSE-UHFFFAOYSA-N
XLogP3.33
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 91635493
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 46129136
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46129149
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 42797806
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 2002814
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylfuran-2-carboxamide
CID 6485239
N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83275000
N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 83277255
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3496002
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 83285433
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 83272653

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide (CID 90488273) is N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide is COc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)C3CC3)n2)cc1OC.
What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is COIZGLQVOUVRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-26-17-8-7-15(12-18(17)27-2)20-22-19(29-23-20)9-10-24(21(25)14-5-6-14)13-16-4-3-11-28-16/h3-4,7-8,11-12,14H,5-6,9-10,13H2,1-2H3.
What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide?
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 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]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 90488273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).