2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide

C18H16ClN3O5 — CID 167975391

IUPAC2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2nc(-c3ccc(O)c(C)c3)no2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H16ClN3O5/c1-9-5-10(3-4-13(9)23)17-21-18(27-22-17)11-6-12(19)16(14(7-11)25-2)26-8-15(20)24/h3-7,23H,8H2,1-2H3,(H2,20,24)
InChIKeyRCOXUNUENLILAL-UHFFFAOYSA-N
MW389.80 g/mol
LogP2.94
Rot. Bonds6

About 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide

2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide (PubChem CID 167975391) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide
PubChem CID167975391
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2nc(-c3ccc(O)c(C)c3)no2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H16ClN3O5/c1-9-5-10(3-4-13(9)23)17-21-18(27-22-17)11-6-12(19)16(14(7-11)25-2)26-8-15(20)24/h3-7,23H,8H2,1-2H3,(H2,20,24)
InChIKeyRCOXUNUENLILAL-UHFFFAOYSA-N
XLogP2.94
TPSA120.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-chloro-6-methoxyphenoxy]acetamide
CID 120862834
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509876
ethyl 3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 63357988
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328648
N-ethyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267236
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone
CID 46052889
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678802
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide (CID 167975391) is 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide is COc1cc(-c2nc(-c3ccc(O)c(C)c3)no2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide?
The InChIKey is RCOXUNUENLILAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c1-9-5-10(3-4-13(9)23)17-21-18(27-22-17)11-6-12(19)16(14(7-11)25-2)26-8-15(20)24/h3-7,23H,8H2,1-2H3,(H2,20,24).
What are the key properties of 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide has a molecular weight of 389.80 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 167975391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).