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

C21H21N3O4 — CID 53041832

IUPACN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc(OC)c1
InChIInChI=1S/C21H21N3O4/c1-26-17-8-13(9-18(12-17)27-2)10-19(25)22-16-5-3-4-15(11-16)20-23-21(28-24-20)14-6-7-14/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,22,25)
InChIKeyDFTYTRBNGIYCPX-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.81
Rot. Bonds7

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

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide (PubChem CID 53041832) 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]-2-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
PubChem CID53041832
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc(OC)c1
InChIInChI=1S/C21H21N3O4/c1-26-17-8-13(9-18(12-17)27-2)10-19(25)22-16-5-3-4-15(11-16)20-23-21(28-24-20)14-6-7-14/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,22,25)
InChIKeyDFTYTRBNGIYCPX-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 53041803
N-[3-[5-[1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 50835670
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897619
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide (CID 53041832) is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc(OC)c1.
What is the InChIKey of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is DFTYTRBNGIYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-17-8-13(9-18(12-17)27-2)10-19(25)22-16-5-3-4-15(11-16)20-23-21(28-24-20)14-6-7-14/h3-5,8-9,11-12,14H,6-7,10H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide?
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 3.81, 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]-2-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 53041832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).