methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate

C18H15ClN2O5 — CID 55376476

IUPACmethyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2nc(-c3cccc(OC)c3)no2)c(Cl)c1
InChIInChI=1S/C18H15ClN2O5/c1-23-13-5-3-4-11(8-13)17-20-16(26-21-17)10-25-15-7-6-12(9-14(15)19)18(22)24-2/h3-9H,10H2,1-2H3
InChIKeyRQNQKTREUKTDAL-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.76
Rot. Bonds6

About methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate

methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate (PubChem CID 55376476) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate
PubChem CID55376476
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Namemethyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2nc(-c3cccc(OC)c3)no2)c(Cl)c1
InChIInChI=1S/C18H15ClN2O5/c1-23-13-5-3-4-11(8-13)17-20-16(26-21-17)10-25-15-7-6-12(9-14(15)19)18(22)24-2/h3-9H,10H2,1-2H3
InChIKeyRQNQKTREUKTDAL-UHFFFAOYSA-N
XLogP3.76
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate with MolForge

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Related Compounds

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-chloropyridine-3-carboxylate
CID 8017406
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-nitrobenzoate
CID 8708201
6-chloro-7-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 30559627
methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 55578098
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-(3-methoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 6461904
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-cyanobenzoate
CID 8018261
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029174
2-O-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 17479278
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-dimethoxybenzoate
CID 40747862

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate?
The IUPAC name of methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate (CID 55376476) is methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2nc(-c3cccc(OC)c3)no2)c(Cl)c1.
What is the InChIKey of methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate?
The InChIKey is RQNQKTREUKTDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-23-13-5-3-4-11(8-13)17-20-16(26-21-17)10-25-15-7-6-12(9-14(15)19)18(22)24-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate?
methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate has a molecular weight of 374.78 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate is sourced from PubChem (CID 55376476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).