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

C12H16N4O — CID 82688928

IUPAC2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(CN)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C12H16N4O/c1-9(7-13)4-5-11-15-12(16-17-11)10-3-2-6-14-8-10/h2-3,6,8-9H,4-5,7,13H2,1H3
InChIKeyGIZVAYCLQKBWSR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.66
Rot. Bonds5

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

2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 82688928) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID82688928
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(CN)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C12H16N4O/c1-9(7-13)4-5-11-15-12(16-17-11)10-3-2-6-14-8-10/h2-3,6,8-9H,4-5,7,13H2,1H3
InChIKeyGIZVAYCLQKBWSR-UHFFFAOYSA-N
XLogP1.66
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82689072
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103442754
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82809463
2-methyl-4-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 82688095
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
(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
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347367
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107923470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 82688928) is 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CC(CN)CCc1nc(-c2cccnc2)no1.
What is the InChIKey of 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is GIZVAYCLQKBWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(7-13)4-5-11-15-12(16-17-11)10-3-2-6-14-8-10/h2-3,6,8-9H,4-5,7,13H2,1H3.
What are the key properties of 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 82688928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).