1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol

C15H20N2O3 — CID 115534463

IUPAC1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
SMILESCCOc1ccccc1-c1noc(CC(O)C(C)C)n1
InChIInChI=1S/C15H20N2O3/c1-4-19-13-8-6-5-7-11(13)15-16-14(20-17-15)9-12(18)10(2)3/h5-8,10,12,18H,4,9H2,1-3H3
InChIKeyBXONWYFFBARSOH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.69
Rot. Bonds6

About 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol

1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol (PubChem CID 115534463) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
PubChem CID115534463
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
SMILESCCOc1ccccc1-c1noc(CC(O)C(C)C)n1
InChIInChI=1S/C15H20N2O3/c1-4-19-13-8-6-5-7-11(13)15-16-14(20-17-15)9-12(18)10(2)3/h5-8,10,12,18H,4,9H2,1-3H3
InChIKeyBXONWYFFBARSOH-UHFFFAOYSA-N
XLogP2.69
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 115532970
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346174
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345690
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 115279656
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-benzamidobutanoate
CID 55492956
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115534479
N-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 115533103
2-bromo-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 25349628
3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 75539076

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol (CID 115534463) is 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol is CCOc1ccccc1-c1noc(CC(O)C(C)C)n1.
What is the InChIKey of 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The InChIKey is BXONWYFFBARSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-19-13-8-6-5-7-11(13)15-16-14(20-17-15)9-12(18)10(2)3/h5-8,10,12,18H,4,9H2,1-3H3.
What are the key properties of 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol has a molecular weight of 276.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 115534463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).