3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine

C13H15ClN4O2 — CID 106474780

IUPAC3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C13H15ClN4O2/c1-15-10-4-6-19-7-8(10)13-17-12(18-20-13)11-9(14)3-2-5-16-11/h2-3,5,8,10,15H,4,6-7H2,1H3
InChIKeyVDLMVOWDJPXVBG-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.88
Rot. Bonds3

About 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine

3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine (PubChem CID 106474780) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
PubChem CID106474780
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C13H15ClN4O2/c1-15-10-4-6-19-7-8(10)13-17-12(18-20-13)11-9(14)3-2-5-16-11/h2-3,5,8,10,15H,4,6-7H2,1H3
InChIKeyVDLMVOWDJPXVBG-UHFFFAOYSA-N
XLogP1.88
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474300
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474380
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103445445
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474675
N-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474289
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83193430
N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine
CID 106474742
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240288
N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474441
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 103445450
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474625
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474530

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The IUPAC name of 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine (CID 106474780) is 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine is CNC1CCOCC1c1nc(-c2ncccc2Cl)no1.
What is the InChIKey of 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The InChIKey is VDLMVOWDJPXVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-15-10-4-6-19-7-8(10)13-17-12(18-20-13)11-9(14)3-2-5-16-11/h2-3,5,8,10,15H,4,6-7H2,1H3.
What are the key properties of 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine has a molecular weight of 294.74 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine is sourced from PubChem (CID 106474780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).