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

C10H11N5O2 — CID 113329133

IUPAC4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESNC1COCC1c1nc(-c2ccncn2)no1
InChIInChI=1S/C10H11N5O2/c11-7-4-16-3-6(7)10-14-9(15-17-10)8-1-2-12-5-13-8/h1-2,5-7H,3-4,11H2
InChIKeyRKOHRMYDAGQVDM-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.03
Rot. Bonds2

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

4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 113329133) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID113329133
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESNC1COCC1c1nc(-c2ccncn2)no1
InChIInChI=1S/C10H11N5O2/c11-7-4-16-3-6(7)10-14-9(15-17-10)8-1-2-12-5-13-8/h1-2,5-7H,3-4,11H2
InChIKeyRKOHRMYDAGQVDM-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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Related Compounds

4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240288
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239287
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239289
(1S,6R)-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963091
5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528821
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83192862
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240481
3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474360
3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 104797798
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911446

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 113329133) is 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is NC1COCC1c1nc(-c2ccncn2)no1.
What is the InChIKey of 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is RKOHRMYDAGQVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-7-4-16-3-6(7)10-14-9(15-17-10)8-1-2-12-5-13-8/h1-2,5-7H,3-4,11H2.
What are the key properties of 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
4-(3-pyrimidin-4-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-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 113329133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).