4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C12H14N4O2 — CID 66240288

IUPAC4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1cccnc1-c1noc(C2COCC2N)n1
InChIInChI=1S/C12H14N4O2/c1-7-3-2-4-14-10(7)11-15-12(18-16-11)8-5-17-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3
InChIKeyBYKOTCALUBYJOT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.88
Rot. Bonds2

About 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66240288) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66240288
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1cccnc1-c1noc(C2COCC2N)n1
InChIInChI=1S/C12H14N4O2/c1-7-3-2-4-14-10(7)11-15-12(18-16-11)8-5-17-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3
InChIKeyBYKOTCALUBYJOT-UHFFFAOYSA-N
XLogP0.88
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200979
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240481
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 113329133
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 104797798
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474675
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
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899212
3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 45204533
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 82732105
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474780
1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161112

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66240288) is 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is Cc1cccnc1-c1noc(C2COCC2N)n1.
What is the InChIKey of 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is BYKOTCALUBYJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-3-2-4-14-10(7)11-15-12(18-16-11)8-5-17-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3.
What are the key properties of 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 246.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66240288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).