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

C11H19N3O2 — CID 62905897

IUPAC1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(C2CCOCC2)n1
InChIInChI=1S/C11H19N3O2/c1-2-9(12)7-10-13-11(16-14-10)8-3-5-15-6-4-8/h8-9H,2-7,12H2,1H3
InChIKeyBZRJYUCPSCSNFT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.24
Rot. Bonds4

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

1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 62905897) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID62905897
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(C2CCOCC2)n1
InChIInChI=1S/C11H19N3O2/c1-2-9(12)7-10-13-11(16-14-10)8-3-5-15-6-4-8/h8-9H,2-7,12H2,1H3
InChIKeyBZRJYUCPSCSNFT-UHFFFAOYSA-N
XLogP1.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81327202
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 55101607
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096126
1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63015287
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62905005
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
CID 99716030
3-(1-chloroethyl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 102661013

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 62905897) is 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(N)Cc1noc(C2CCOCC2)n1.
What is the InChIKey of 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is BZRJYUCPSCSNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-9(12)7-10-13-11(16-14-10)8-3-5-15-6-4-8/h8-9H,2-7,12H2,1H3.
What are the key properties of 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 62905897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).