1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol

C13H20N2O3 — CID 80681737

IUPAC1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC1(c2noc(CC(O)C3CC3)n2)CCCCO1
InChIInChI=1S/C13H20N2O3/c1-13(6-2-3-7-17-13)12-14-11(18-15-12)8-10(16)9-4-5-9/h9-10,16H,2-8H2,1H3
InChIKeyHVQXXZGKWYNZPZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.80
Rot. Bonds4

About 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol

1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 80681737) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID80681737
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC1(c2noc(CC(O)C3CC3)n2)CCCCO1
InChIInChI=1S/C13H20N2O3/c1-13(6-2-3-7-17-13)12-14-11(18-15-12)8-10(16)9-4-5-9/h9-10,16H,2-8H2,1H3
InChIKeyHVQXXZGKWYNZPZ-UHFFFAOYSA-N
XLogP1.80
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80681042
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80680961
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80690666
1-[[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 80683706
methyl 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 80690674
1,1,1-trifluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 80681115
3-(2-methyloxan-2-yl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 80691095
1-cyclopropyl-2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 65391668
1-cyclopropyl-2-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780837
4-[2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340405
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol
CID 63345351

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 80681737) is 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is CC1(c2noc(CC(O)C3CC3)n2)CCCCO1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is HVQXXZGKWYNZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(6-2-3-7-17-13)12-14-11(18-15-12)8-10(16)9-4-5-9/h9-10,16H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 80681737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).