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

C11H14N4O — CID 60708436

IUPACN-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C11H14N4O/c1-8(2)13-7-10-14-11(15-16-10)9-4-3-5-12-6-9/h3-6,8,13H,7H2,1-2H3
InChIKeyUDDKONPRSPIWDA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.63
Rot. Bonds4

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

N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (PubChem CID 60708436) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
PubChem CID60708436
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C11H14N4O/c1-8(2)13-7-10-14-11(15-16-10)9-4-3-5-12-6-9/h3-6,8,13H,7H2,1-2H3
InChIKeyUDDKONPRSPIWDA-UHFFFAOYSA-N
XLogP1.63
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
(2R)-1-phenoxy-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 95147172
1-(2-chlorophenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78836003
(2S,3R)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351937
(2R,3S)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351940
2-methyl-1-[4-(2-methylpropyl)phenyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 78836201
2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82688928
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
N-ethyl-1-methoxy-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 55202602
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (CID 60708436) is N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1nc(-c2cccnc2)no1.
What is the InChIKey of N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is UDDKONPRSPIWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(2)13-7-10-14-11(15-16-10)9-4-3-5-12-6-9/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 60708436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).