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

C10H19N3O — CID 63953465

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine
SMILESCCCCC(N)(CC)c1noc(C)n1
InChIInChI=1S/C10H19N3O/c1-4-6-7-10(11,5-2)9-12-8(3)14-13-9/h4-7,11H2,1-3H3
InChIKeyRWDBYUFPGKJLNK-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.13
Rot. Bonds5

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

3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine (PubChem CID 63953465) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine
PubChem CID63953465
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine
SMILESCCCCC(N)(CC)c1noc(C)n1
InChIInChI=1S/C10H19N3O/c1-4-6-7-10(11,5-2)9-12-8(3)14-13-9/h4-7,11H2,1-3H3
InChIKeyRWDBYUFPGKJLNK-UHFFFAOYSA-N
XLogP2.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-heptyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
CID 61325891
3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 104632808
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326086
3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324868
3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
CID 146431143
3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
CID 65021193
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637170
3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326318
2-(5-pentyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 61326284
3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61325906
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine (CID 63953465) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine is CCCCC(N)(CC)c1noc(C)n1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine?
The InChIKey is RWDBYUFPGKJLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-7-10(11,5-2)9-12-8(3)14-13-9/h4-7,11H2,1-3H3.
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine?
3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine has a molecular weight of 197.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-oxadiazol-3-yl)heptan-3-amine is sourced from PubChem (CID 63953465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).