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

C12H21N3O2 — CID 65334686

IUPAC1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(C2CCOCC2)no1
InChIInChI=1S/C12H21N3O2/c1-2-3-10(13)8-11-14-12(15-17-11)9-4-6-16-7-5-9/h9-10H,2-8,13H2,1H3
InChIKeyAPWLLVULBXTXDJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.63
Rot. Bonds5

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

1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65334686) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65334686
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(C2CCOCC2)no1
InChIInChI=1S/C12H21N3O2/c1-2-3-10(13)8-11-14-12(15-17-11)9-4-6-16-7-5-9/h9-10H,2-8,13H2,1H3
InChIKeyAPWLLVULBXTXDJ-UHFFFAOYSA-N
XLogP1.63
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401192
1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115997649
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65414274
1-cyclopropyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329569
1-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 79974463
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115389117
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65404122
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
N-methyl-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401601
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072758

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65334686) is 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(N)Cc1nc(C2CCOCC2)no1.
What is the InChIKey of 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is APWLLVULBXTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-3-10(13)8-11-14-12(15-17-11)9-4-6-16-7-5-9/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65334686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).