N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

C11H14N4O — CID 62817975

IUPACN-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(-c2cccnc2)no1
InChIInChI=1S/C11H14N4O/c1-11(2,12-3)10-14-9(15-16-10)8-5-4-6-13-7-8/h4-7,12H,1-3H3
InChIKeyKMIVROXFUWASHI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.59
Rot. Bonds3

About N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 62817975) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID62817975
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(-c2cccnc2)no1
InChIInChI=1S/C11H14N4O/c1-11(2,12-3)10-14-9(15-16-10)8-5-4-6-13-7-8/h4-7,12H,1-3H3
InChIKeyKMIVROXFUWASHI-UHFFFAOYSA-N
XLogP1.59
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667279
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115565472
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)hydrazine
CID 47003158
N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81148400
N-methyl-2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62818341
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine
CID 71569459
N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 104788975

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 62817975) is N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CNC(C)(C)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is KMIVROXFUWASHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(2,12-3)10-14-9(15-16-10)8-5-4-6-13-7-8/h4-7,12H,1-3H3.
What are the key properties of N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 62817975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).