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

C15H20N4O2 — CID 79664886

IUPAC3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC(C)N1CCOC(c2noc(-c3cccc(N)c3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-10(2)19-6-7-20-13(9-19)14-17-15(21-18-14)11-4-3-5-12(16)8-11/h3-5,8,10,13H,6-7,9,16H2,1-2H3
InChIKeyVBEWBRSEIRUEJM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.10
Rot. Bonds3

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

3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 79664886) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID79664886
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC(C)N1CCOC(c2noc(-c3cccc(N)c3)n2)C1
InChIInChI=1S/C15H20N4O2/c1-10(2)19-6-7-20-13(9-19)14-17-15(21-18-14)11-4-3-5-12(16)8-11/h3-5,8,10,13H,6-7,9,16H2,1-2H3
InChIKeyVBEWBRSEIRUEJM-UHFFFAOYSA-N
XLogP2.10
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 79657891
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
2-bromo-4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078232
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
2-fluoro-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077241
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 79665811
3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115997583
3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79665247
(1S)-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145038
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161835
2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665076

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 79664886) is 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline is CC(C)N1CCOC(c2noc(-c3cccc(N)c3)n2)C1.
What is the InChIKey of 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is VBEWBRSEIRUEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)19-6-7-20-13(9-19)14-17-15(21-18-14)11-4-3-5-12(16)8-11/h3-5,8,10,13H,6-7,9,16H2,1-2H3.
What are the key properties of 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 288.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 79664886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).