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

C12H21N3O3 — CID 116742107

IUPAC1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C12H21N3O3/c1-3-4-9(13)10-14-11(15-18-10)12(16-2)5-7-17-8-6-12/h9H,3-8,13H2,1-2H3
InChIKeySNAMVHBDSLRTDY-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.52
Rot. Bonds5

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

1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 116742107) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID116742107
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C12H21N3O3/c1-3-4-9(13)10-14-11(15-18-10)12(16-2)5-7-17-8-6-12/h9H,3-8,13H2,1-2H3
InChIKeySNAMVHBDSLRTDY-UHFFFAOYSA-N
XLogP1.52
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 116742099
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901861
(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909661
5-(1-chloroethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 116740050
(1S)-1-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909658
(1S)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909650
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116781274
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116741461
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 116742107) is 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCCC(N)c1nc(C2(OC)CCOCC2)no1.
What is the InChIKey of 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is SNAMVHBDSLRTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-4-9(13)10-14-11(15-18-10)12(16-2)5-7-17-8-6-12/h9H,3-8,13H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116742107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).