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

C12H14N4O2 — CID 113329705

IUPAC1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCc1nccc(-c2noc(CC(O)C3CC3)n2)n1
InChIInChI=1S/C12H14N4O2/c1-7-13-5-4-9(14-7)12-15-11(18-16-12)6-10(17)8-2-3-8/h4-5,8,10,17H,2-3,6H2,1H3
InChIKeyUDALTKNQDSGCCF-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.15
Rot. Bonds4

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

1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 113329705) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID113329705
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCc1nccc(-c2noc(CC(O)C3CC3)n2)n1
InChIInChI=1S/C12H14N4O2/c1-7-13-5-4-9(14-7)12-15-11(18-16-12)6-10(17)8-2-3-8/h4-5,8,10,17H,2-3,6H2,1H3
InChIKeyUDALTKNQDSGCCF-UHFFFAOYSA-N
XLogP1.15
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 113329705) is 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol is Cc1nccc(-c2noc(CC(O)C3CC3)n2)n1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is UDALTKNQDSGCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-13-5-4-9(14-7)12-15-11(18-16-12)6-10(17)8-2-3-8/h4-5,8,10,17H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol?
1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 246.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 113329705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).