N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide

C21H21N3O4 — CID 71856410

IUPACN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC
InChIInChI=1S/C21H21N3O4/c1-3-27-17-10-9-15(12-18(17)26-2)20(25)22-16-6-4-5-14(11-16)19-23-21(28-24-19)13-7-8-13/h4-6,9-13H,3,7-8H2,1-2H3,(H,22,25)
InChIKeyCHSCVOGYQPKGGW-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.27
Rot. Bonds7

About N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide (PubChem CID 71856410) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
PubChem CID71856410
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC
InChIInChI=1S/C21H21N3O4/c1-3-27-17-10-9-15(12-18(17)26-2)20(25)22-16-6-4-5-14(11-16)19-23-21(28-24-19)13-7-8-13/h4-6,9-13H,3,7-8H2,1-2H3,(H,22,25)
InChIKeyCHSCVOGYQPKGGW-UHFFFAOYSA-N
XLogP4.27
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea
CID 167785307
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
CID 53041832
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 53041803
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 50779005
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide (CID 71856410) is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC.
What is the InChIKey of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide?
The InChIKey is CHSCVOGYQPKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-27-17-10-9-15(12-18(17)26-2)20(25)22-16-6-4-5-14(11-16)19-23-21(28-24-19)13-7-8-13/h4-6,9-13H,3,7-8H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide?
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide has a molecular weight of 379.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 71856410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).