3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol

C11H20N2O3 — CID 116781585

IUPAC3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCOC(C)(CC)c1noc(CCCO)n1
InChIInChI=1S/C11H20N2O3/c1-4-11(3,15-5-2)10-12-9(16-13-10)7-6-8-14/h14H,4-8H2,1-3H3
InChIKeyPHSFGFCEEOUTMO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.66
Rot. Bonds7

About 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol

3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 116781585) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID116781585
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCOC(C)(CC)c1noc(CCCO)n1
InChIInChI=1S/C11H20N2O3/c1-4-11(3,15-5-2)10-12-9(16-13-10)7-6-8-14/h14H,4-8H2,1-3H3
InChIKeyPHSFGFCEEOUTMO-UHFFFAOYSA-N
XLogP1.66
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
CID 75420782
3-(3-(1-Methoxyethyl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 71755379
4-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103476784
4-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103476802
3-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 103476903
3-[3-(2-Ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 113558203
1,1-Difluoro-3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 113563317
3-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 113820084
3-[3-(1-Ethoxypropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol
CID 116732795
3-[3-(1-Ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 116732874
3-[3-(1-Ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-ol
CID 116732875
3-[3-(1-Ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 116732876

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 116781585) is 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is CCOC(C)(CC)c1noc(CCCO)n1.
What is the InChIKey of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is PHSFGFCEEOUTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-11(3,15-5-2)10-12-9(16-13-10)7-6-8-14/h14H,4-8H2,1-3H3.
What are the key properties of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 228.29 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 116781585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).