N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine

C14H20N4O — CID 107502081

IUPACN-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCc1cc(-c2noc(CCNC(C)C)n2)cc(C)n1
InChIInChI=1S/C14H20N4O/c1-9(2)15-6-5-13-17-14(18-19-13)12-7-10(3)16-11(4)8-12/h7-9,15H,5-6H2,1-4H3
InChIKeyUCSURMXEQZVOKC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.29
Rot. Bonds5

About N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine

N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 107502081) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID107502081
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCc1cc(-c2noc(CCNC(C)C)n2)cc(C)n1
InChIInChI=1S/C14H20N4O/c1-9(2)15-6-5-13-17-14(18-19-13)12-7-10(3)16-11(4)8-12/h7-9,15H,5-6H2,1-4H3
InChIKeyUCSURMXEQZVOKC-UHFFFAOYSA-N
XLogP2.29
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
N-[2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 106847387
N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 54924301
5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 107501897
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 107504612
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 60835917
N-[2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103372758
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 18349096
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107504595
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 107504626

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 107502081) is N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is Cc1cc(-c2noc(CCNC(C)C)n2)cc(C)n1.
What is the InChIKey of N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is UCSURMXEQZVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)15-6-5-13-17-14(18-19-13)12-7-10(3)16-11(4)8-12/h7-9,15H,5-6H2,1-4H3.
What are the key properties of N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 107502081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).