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

C10H11N5O2 — CID 66240484

IUPAC4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESNC1COCC1c1nc(-c2ncccn2)no1
InChIInChI=1S/C10H11N5O2/c11-7-5-16-4-6(7)10-14-9(15-17-10)8-12-2-1-3-13-8/h1-3,6-7H,4-5,11H2
InChIKeyDFFLELYEEQWTSQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.03
Rot. Bonds2

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

4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 66240484) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID66240484
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESNC1COCC1c1nc(-c2ncccn2)no1
InChIInChI=1S/C10H11N5O2/c11-7-5-16-4-6(7)10-14-9(15-17-10)8-12-2-1-3-13-8/h1-3,6-7H,4-5,11H2
InChIKeyDFFLELYEEQWTSQ-UHFFFAOYSA-N
XLogP-0.03
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 66240484) is 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is NC1COCC1c1nc(-c2ncccn2)no1.
What is the InChIKey of 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is DFFLELYEEQWTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-7-5-16-4-6(7)10-14-9(15-17-10)8-12-2-1-3-13-8/h1-3,6-7H,4-5,11H2.
What are the key properties of 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 233.23 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 66240484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).