4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid

C18H16N2O6 — CID 67718067

IUPAC4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
SMILESCOc1ccc(-c2noc(COc3cc(C(=O)O)ccc3OC)n2)cc1
InChIInChI=1S/C18H16N2O6/c1-23-13-6-3-11(4-7-13)17-19-16(26-20-17)10-25-15-9-12(18(21)22)5-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyOLHJWAXOPNJVBK-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.03
Rot. Bonds7

About 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid

4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid (PubChem CID 67718067) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
PubChem CID67718067
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
SMILESCOc1ccc(-c2noc(COc3cc(C(=O)O)ccc3OC)n2)cc1
InChIInChI=1S/C18H16N2O6/c1-23-13-6-3-11(4-7-13)17-19-16(26-20-17)10-25-15-9-12(18(21)22)5-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyOLHJWAXOPNJVBK-UHFFFAOYSA-N
XLogP3.03
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-dimethoxybenzoate
CID 40747862
4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30029077
1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 30386873
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 24670741
3,4-dimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 3164333
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678802
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448
8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide
CID 56911650

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid?
The IUPAC name of 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid (CID 67718067) is 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid is COc1ccc(-c2noc(COc3cc(C(=O)O)ccc3OC)n2)cc1.
What is the InChIKey of 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid?
The InChIKey is OLHJWAXOPNJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-23-13-6-3-11(4-7-13)17-19-16(26-20-17)10-25-15-9-12(18(21)22)5-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid?
4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid has a molecular weight of 356.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid is sourced from PubChem (CID 67718067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).