3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole

C19H20N2O4 — CID 154225035

IUPAC3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole
SMILESCOCc1cc(OC)c(OCc2ccccc2)cc1-c1noc(C)n1
InChIInChI=1S/C19H20N2O4/c1-13-20-19(21-25-13)16-10-18(17(23-3)9-15(16)12-22-2)24-11-14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3
InChIKeyBREZTFVLPCLDJU-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.78
Rot. Bonds7

About 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole

3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 154225035) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID154225035
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole
SMILESCOCc1cc(OC)c(OCc2ccccc2)cc1-c1noc(C)n1
InChIInChI=1S/C19H20N2O4/c1-13-20-19(21-25-13)16-10-18(17(23-3)9-15(16)12-22-2)24-11-14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3
InChIKeyBREZTFVLPCLDJU-UHFFFAOYSA-N
XLogP3.78
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methoxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-phenylmethoxyphenyl]ethanol;1-[4-methoxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)-5-phenylmethoxyphenyl]ethanone
CID 159106148
3,5-dimethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 55700663
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
2-[4,5-dimethoxy-2-[5-(methoxymethoxy)-4-phenylmethoxy-2-[2-tri(propan-2-yl)silyloxyethyl]phenyl]phenyl]ethanol
CID 11192913
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71658250
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole
CID 162219305
N-[(4,5-dimethoxy-2-phenylmethoxyphenyl)methyl]-1,2-oxazol-3-amine
CID 68693296
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975
5-(5-chloro-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8813218

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole (CID 154225035) is 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole is COCc1cc(OC)c(OCc2ccccc2)cc1-c1noc(C)n1.
What is the InChIKey of 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is BREZTFVLPCLDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-20-19(21-25-13)16-10-18(17(23-3)9-15(16)12-22-2)24-11-14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3.
What are the key properties of 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole?
3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 340.38 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 154225035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).