5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine

C13H16N4O2 — CID 170758052

IUPAC5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2cccc(C3CCOCC3)n2)o1
InChIInChI=1S/C13H16N4O2/c14-13-17-16-12(19-13)8-10-2-1-3-11(15-10)9-4-6-18-7-5-9/h1-3,9H,4-8H2,(H2,14,17)
InChIKeyDCFBSDGDQLCVBC-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.53
Rot. Bonds3

About 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine

5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 170758052) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID170758052
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2cccc(C3CCOCC3)n2)o1
InChIInChI=1S/C13H16N4O2/c14-13-17-16-12(19-13)8-10-2-1-3-11(15-10)9-4-6-18-7-5-9/h1-3,9H,4-8H2,(H2,14,17)
InChIKeyDCFBSDGDQLCVBC-UHFFFAOYSA-N
XLogP1.53
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride
CID 162422686
2-(chloromethyl)-6-cyclopropylpyridine;hydrochloride
CID 67974654
2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
CID 95810440
3-[6-[1-(oxane-4-carbonyl)piperidin-4-yl]-2-pyridinyl]propanamide
CID 95820768
2-chloro-6-(oxan-4-yl)pyridin-3-amine
CID 115028136
2-[4-(oxan-4-yl)pyrimidin-2-yl]ethanol
CID 116899632
[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
CID 105448142
2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 110249875
3-[6-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-2-pyridinyl]propanamide
CID 95820769
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 110254690
[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902577

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine (CID 170758052) is 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(Cc2cccc(C3CCOCC3)n2)o1.
What is the InChIKey of 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DCFBSDGDQLCVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-13-17-16-12(19-13)8-10-2-1-3-11(15-10)9-4-6-18-7-5-9/h1-3,9H,4-8H2,(H2,14,17).
What are the key properties of 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine?
5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(oxan-4-yl)-2-pyridinyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 170758052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).