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

C13H23N3O2 — CID 65334208

IUPACN-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2CCOCC2)no1
InChIInChI=1S/C13H23N3O2/c1-4-11(14-3)9(2)13-15-12(16-18-13)10-5-7-17-8-6-10/h9-11,14H,4-8H2,1-3H3
InChIKeyDQWYTQVLGCQVES-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.07
Rot. Bonds5

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

N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 65334208) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID65334208
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2CCOCC2)no1
InChIInChI=1S/C13H23N3O2/c1-4-11(14-3)9(2)13-15-12(16-18-13)10-5-7-17-8-6-10/h9-11,14H,4-8H2,1-3H3
InChIKeyDQWYTQVLGCQVES-UHFFFAOYSA-N
XLogP2.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 65329237
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 107924584
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
CID 80610609
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
1,1,1-trifluoro-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65334470
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
N-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 106446088
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 65334208) is N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCC(NC)C(C)c1nc(C2CCOCC2)no1.
What is the InChIKey of N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is DQWYTQVLGCQVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-11(14-3)9(2)13-15-12(16-18-13)10-5-7-17-8-6-10/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 253.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 65334208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).