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

C18H16ClN3O5 — CID 42368813

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCOc1cc(OC)c(NC(=O)COc2ccc(-c3nnco3)cc2)cc1Cl
InChIInChI=1S/C18H16ClN3O5/c1-24-15-8-16(25-2)14(7-13(15)19)21-17(23)9-26-12-5-3-11(4-6-12)18-22-20-10-27-18/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeySDNJMQFSUBLPQN-UHFFFAOYSA-N
MW389.80 g/mol
LogP3.42
Rot. Bonds7

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 42368813) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID42368813
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCOc1cc(OC)c(NC(=O)COc2ccc(-c3nnco3)cc2)cc1Cl
InChIInChI=1S/C18H16ClN3O5/c1-24-15-8-16(25-2)14(7-13(15)19)21-17(23)9-26-12-5-3-11(4-6-12)18-22-20-10-27-18/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeySDNJMQFSUBLPQN-UHFFFAOYSA-N
XLogP3.42
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
N-(2-bromo-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556220
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556246
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112162
N-(2,3-dimethylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7908220
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
N-(3,4-diethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556124
N-(3,5-difluorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368891
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1139897

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 42368813) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is COc1cc(OC)c(NC(=O)COc2ccc(-c3nnco3)cc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is SDNJMQFSUBLPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c1-24-15-8-16(25-2)14(7-13(15)19)21-17(23)9-26-12-5-3-11(4-6-12)18-22-20-10-27-18/h3-8,10H,9H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 389.80 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 42368813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).