[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol

C19H20N2O5 — CID 141403356

IUPAC[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O5/c1-11-5-7-12(8-6-11)18-20-19(26-21-18)16(22)13-9-14(23-2)17(25-4)15(10-13)24-3/h5-10,16,22H,1-4H3
InChIKeyADPCTNOLEWNCAU-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.15
Rot. Bonds6

About [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol

[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 141403356) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
PubChem CID141403356
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O5/c1-11-5-7-12(8-6-11)18-20-19(26-21-18)16(22)13-9-14(23-2)17(25-4)15(10-13)24-3/h5-10,16,22H,1-4H3
InChIKeyADPCTNOLEWNCAU-UHFFFAOYSA-N
XLogP3.15
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 106793379
(1S)-1-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264441
3-(4-methylphenyl)-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083479
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 98695111
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087
(3-chloro-4,5-dimethoxyphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073655
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
(1S)-2-amino-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114007041
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349264
3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 107923162

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol (CID 141403356) is [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol is COc1cc(C(O)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC.
What is the InChIKey of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is ADPCTNOLEWNCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-11-5-7-12(8-6-11)18-20-19(26-21-18)16(22)13-9-14(23-2)17(25-4)15(10-13)24-3/h5-10,16,22H,1-4H3.
What are the key properties of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol?
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 356.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 141403356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).