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

C13H24N4O2 — CID 79657972

IUPAC4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(C)N1CCOC(c2noc(CCCCN)n2)C1
InChIInChI=1S/C13H24N4O2/c1-10(2)17-7-8-18-11(9-17)13-15-12(19-16-13)5-3-4-6-14/h10-11H,3-9,14H2,1-2H3
InChIKeyMFWURYSVKSUCPP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.13
Rot. Bonds6

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

4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 79657972) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID79657972
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(C)N1CCOC(c2noc(CCCCN)n2)C1
InChIInChI=1S/C13H24N4O2/c1-10(2)17-7-8-18-11(9-17)13-15-12(19-16-13)5-3-4-6-14/h10-11H,3-9,14H2,1-2H3
InChIKeyMFWURYSVKSUCPP-UHFFFAOYSA-N
XLogP1.13
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine with MolForge

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Related Compounds

N-propan-2-yl-3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79664896
2-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79657510
N-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79663367
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79665429
3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79665247
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664531
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
2-[[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570822
(1S)-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145038
4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79658286
2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798084
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 79665811

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 79657972) is 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CC(C)N1CCOC(c2noc(CCCCN)n2)C1.
What is the InChIKey of 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is MFWURYSVKSUCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)17-7-8-18-11(9-17)13-15-12(19-16-13)5-3-4-6-14/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 268.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 79657972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).