4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

C11H13N5O2 — CID 66248951

IUPAC4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC1(c2nc(-c3ncccn3)no2)COCC1N
InChIInChI=1S/C11H13N5O2/c1-11(6-17-5-7(11)12)10-15-9(16-18-10)8-13-3-2-4-14-8/h2-4,7H,5-6,12H2,1H3
InChIKeyWMFSBAPVFOWFTD-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.14
Rot. Bonds2

About 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 66248951) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID66248951
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC1(c2nc(-c3ncccn3)no2)COCC1N
InChIInChI=1S/C11H13N5O2/c1-11(6-17-5-7(11)12)10-15-9(16-18-10)8-13-3-2-4-14-8/h2-4,7H,5-6,12H2,1H3
InChIKeyWMFSBAPVFOWFTD-UHFFFAOYSA-N
XLogP0.14
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 66248951) is 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is CC1(c2nc(-c3ncccn3)no2)COCC1N.
What is the InChIKey of 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is WMFSBAPVFOWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-11(6-17-5-7(11)12)10-15-9(16-18-10)8-13-3-2-4-14-8/h2-4,7H,5-6,12H2,1H3.
What are the key properties of 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 247.26 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 66248951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).