N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine

C11H12N4O — CID 60837872

IUPACN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2noc(CNC3CC3)n2)nc1
InChIInChI=1S/C11H12N4O/c1-2-6-12-9(3-1)11-14-10(16-15-11)7-13-8-4-5-8/h1-3,6,8,13H,4-5,7H2
InChIKeyHSMLJNLSRCFAEC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.38
Rot. Bonds4

About N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (PubChem CID 60837872) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
PubChem CID60837872
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2noc(CNC3CC3)n2)nc1
InChIInChI=1S/C11H12N4O/c1-2-6-12-9(3-1)11-14-10(16-15-11)7-13-8-4-5-8/h1-3,6,8,13H,4-5,7H2
InChIKeyHSMLJNLSRCFAEC-UHFFFAOYSA-N
XLogP1.38
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 79273565
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 62716244
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62746207
5-(cyclopropylsulfonylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 171682421
N-[(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206497
1-cyclopropyl-N-methyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347146
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72839001
(3S)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97268325
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (CID 60837872) is N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is c1ccc(-c2noc(CNC3CC3)n2)nc1.
What is the InChIKey of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is HSMLJNLSRCFAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-6-12-9(3-1)11-14-10(16-15-11)7-13-8-4-5-8/h1-3,6,8,13H,4-5,7H2.
What are the key properties of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 216.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 60837872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).