3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine

C14H23N5O — CID 65196500

IUPAC3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
SMILESCCCC(CCN)CCc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C14H23N5O/c1-3-4-11(7-9-15)5-6-13-16-14(18-20-13)12-8-10-19(2)17-12/h8,10-11H,3-7,9,15H2,1-2H3
InChIKeyMRVKYIYYPJOOGI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.17
Rot. Bonds8

About 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine

3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine (PubChem CID 65196500) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine.

Molecular Properties

Compound Name3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
PubChem CID65196500
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
SMILESCCCC(CCN)CCc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C14H23N5O/c1-3-4-11(7-9-15)5-6-13-16-14(18-20-13)12-8-10-19(2)17-12/h8,10-11H,3-7,9,15H2,1-2H3
InChIKeyMRVKYIYYPJOOGI-UHFFFAOYSA-N
XLogP2.17
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196556
N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65198229
2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072184
(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 104916138
1,1-difluoro-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65197647
1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65198178
1-cyclopropyl-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65197811
3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65197705
3-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 79202804
N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65198230
3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65196262
[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458341

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The IUPAC name of 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine (CID 65196500) is 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine.
What is the SMILES notation for 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The canonical SMILES for 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine is CCCC(CCN)CCc1nc(-c2ccn(C)n2)no1.
What is the InChIKey of 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
The InChIKey is MRVKYIYYPJOOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-4-11(7-9-15)5-6-13-16-14(18-20-13)12-8-10-19(2)17-12/h8,10-11H,3-7,9,15H2,1-2H3.
What are the key properties of 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine?
3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine is sourced from PubChem (CID 65196500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).