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

C38H38N4O8 — CID 159106148

IUPAC1-[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
SMILESCOc1cc(-c2noc(C)n2)c(C(C)=O)cc1OCc1ccccc1.COc1cc(-c2noc(C)n2)c(C(C)O)cc1OCc1ccccc1
InChIInChI=1S/C19H20N2O4.C19H18N2O4/c2*1-12(22)15-9-18(24-11-14-7-5-4-6-8-14)17(23-3)10-16(15)19-20-13(2)25-21-19/h4-10,12,22H,11H2,1-3H3;4-10H,11H2,1-3H3
InChIKeyKDXKMBMOGXXROM-UHFFFAOYSA-N
MW678.74 g/mol
LogP7.52
Rot. Bonds12

About 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

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 (PubChem CID 159106148) has the molecular formula C38H38N4O8 and a molecular weight of 678.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159106148
Molecular FormulaC38H38N4O8
Molecular Weight678.74 g/mol
Exact Mass678.27
IUPAC Name1-[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
SMILESCOc1cc(-c2noc(C)n2)c(C(C)=O)cc1OCc1ccccc1.COc1cc(-c2noc(C)n2)c(C(C)O)cc1OCc1ccccc1
InChIInChI=1S/C19H20N2O4.C19H18N2O4/c2*1-12(22)15-9-18(24-11-14-7-5-4-6-8-14)17(23-3)10-16(15)19-20-13(2)25-21-19/h4-10,12,22H,11H2,1-3H3;4-10H,11H2,1-3H3
InChIKeyKDXKMBMOGXXROM-UHFFFAOYSA-N
XLogP7.52
TPSA152.06 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500678.74
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole
CID 154225035
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
3,5-dimethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 55700663
propan-2-yl 5-methoxy-2-(1,2-oxazole-5-carbonyl)-4-phenylmethoxybenzoate
CID 58345544
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
3-[3,4-bis(phenylmethoxy)phenyl]-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 18675675
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097
1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
propan-2-yl 2-(4-aminobenzoyl)-5-methoxy-4-phenylmethoxybenzoate
CID 89441745

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2noc(C)n2)c(C(C)=O)cc1OCc1ccccc1.COc1cc(-c2noc(C)n2)c(C(C)O)cc1OCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is KDXKMBMOGXXROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4.C19H18N2O4/c2*1-12(22)15-9-18(24-11-14-7-5-4-6-8-14)17(23-3)10-16(15)19-20-13(2)25-21-19/h4-10,12,22H,11H2,1-3H3;4-10H,11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 678.74 g/mol, XLogP of 7.52, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159106148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).