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

C13H23N3O3 — CID 116742227

IUPAC4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCOC1(c2noc(CCC(C)N)n2)CCOCC1
InChIInChI=1S/C13H23N3O3/c1-3-18-13(6-8-17-9-7-13)12-15-11(19-16-12)5-4-10(2)14/h10H,3-9,14H2,1-2H3
InChIKeyIKRNHVVPCBKRNS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.39
Rot. Bonds6

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

4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 116742227) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID116742227
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCOC1(c2noc(CCC(C)N)n2)CCOCC1
InChIInChI=1S/C13H23N3O3/c1-3-18-13(6-8-17-9-7-13)12-15-11(19-16-12)5-4-10(2)14/h10H,3-9,14H2,1-2H3
InChIKeyIKRNHVVPCBKRNS-UHFFFAOYSA-N
XLogP1.39
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742839
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781319
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
1-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116742359
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116742254
2-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 116744107
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 116742319
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780755
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781658

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 116742227) is 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCOC1(c2noc(CCC(C)N)n2)CCOCC1.
What is the InChIKey of 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is IKRNHVVPCBKRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-18-13(6-8-17-9-7-13)12-15-11(19-16-12)5-4-10(2)14/h10H,3-9,14H2,1-2H3.
What are the key properties of 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 269.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 116742227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).