2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine

C12H23N3O — CID 79412396

IUPAC2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
SMILESCCCCc1noc(C(C)C(CC)NC)n1
InChIInChI=1S/C12H23N3O/c1-5-7-8-11-14-12(16-15-11)9(3)10(6-2)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyXWAIJTBJCQPDCK-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.51
Rot. Bonds7

About 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine

2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine (PubChem CID 79412396) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
PubChem CID79412396
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
SMILESCCCCc1noc(C(C)C(CC)NC)n1
InChIInChI=1S/C12H23N3O/c1-5-7-8-11-14-12(16-15-11)9(3)10(6-2)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyXWAIJTBJCQPDCK-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 114212156
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 55221452
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 103151066
N-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103151022
3-butyl-5-[(1S)-1-chloroethyl]-1,2,4-oxadiazole
CID 25490822
N-methyl-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559720
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561260
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561258
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 107924584
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 55220796

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The IUPAC name of 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine (CID 79412396) is 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine.
What is the SMILES notation for 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The canonical SMILES for 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine is CCCCc1noc(C(C)C(CC)NC)n1.
What is the InChIKey of 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The InChIKey is XWAIJTBJCQPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-7-8-11-14-12(16-15-11)9(3)10(6-2)13-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine is sourced from PubChem (CID 79412396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).