3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol

C15H18N2O3 — CID 116733875

IUPAC3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCOC(c1noc(-c2cccc(O)c2C)n1)C1CC1
InChIInChI=1S/C15H18N2O3/c1-3-19-13(10-7-8-10)14-16-15(20-17-14)11-5-4-6-12(18)9(11)2/h4-6,10,13,18H,3,7-8H2,1-2H3
InChIKeyOSWQNXKZMIEUSB-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.24
Rot. Bonds5

About 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol

3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 116733875) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID116733875
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCOC(c1noc(-c2cccc(O)c2C)n1)C1CC1
InChIInChI=1S/C15H18N2O3/c1-3-19-13(10-7-8-10)14-16-15(20-17-14)11-5-4-6-12(18)9(11)2/h4-6,10,13,18H,3,7-8H2,1-2H3
InChIKeyOSWQNXKZMIEUSB-UHFFFAOYSA-N
XLogP3.24
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928505
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703677
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 116703741
4-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703850
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813550
[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 116733877
4-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116733881
3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 136572097
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760
[5-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116703734
3-[cyclopentyl(ethoxy)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
CID 136570260

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 116733875) is 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol is CCOC(c1noc(-c2cccc(O)c2C)n1)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is OSWQNXKZMIEUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-19-13(10-7-8-10)14-16-15(20-17-14)11-5-4-6-12(18)9(11)2/h4-6,10,13,18H,3,7-8H2,1-2H3.
What are the key properties of 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol?
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 274.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 116733875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).