3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline

C15H18N4O2 — CID 115340348

IUPAC3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
SMILESCN1CCOC(c2noc(/C=C/c3cccc(N)c3)n2)C1
InChIInChI=1S/C15H18N4O2/c1-19-7-8-20-13(10-19)15-17-14(21-18-15)6-5-11-3-2-4-12(16)9-11/h2-6,9,13H,7-8,10,16H2,1H3/b6-5+
InChIKeyYVDVGHWOIKWSQS-AATRIKPKSA-N
MW286.34 g/mol
LogP1.83
Rot. Bonds3

About 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline

3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline (PubChem CID 115340348) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
PubChem CID115340348
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
SMILESCN1CCOC(c2noc(/C=C/c3cccc(N)c3)n2)C1
InChIInChI=1S/C15H18N4O2/c1-19-7-8-20-13(10-19)15-17-14(21-18-15)6-5-11-3-2-4-12(16)9-11/h2-6,9,13H,7-8,10,16H2,1H3/b6-5+
InChIKeyYVDVGHWOIKWSQS-AATRIKPKSA-N
XLogP1.83
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.83
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-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077142
3-[(E)-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340336
3-methyl-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078448
3-(4-methylmorpholin-2-yl)aniline
CID 82275083
2-fluoro-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077241
2-bromo-4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078232
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340155
2-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483946
2-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831065
2-[2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273778
3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79664886

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The IUPAC name of 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline (CID 115340348) is 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The canonical SMILES for 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline is CN1CCOC(c2noc(/C=C/c3cccc(N)c3)n2)C1.
What is the InChIKey of 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The InChIKey is YVDVGHWOIKWSQS-AATRIKPKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-7-8-20-13(10-19)15-17-14(21-18-15)6-5-11-3-2-4-12(16)9-11/h2-6,9,13H,7-8,10,16H2,1H3/b6-5+.
What are the key properties of 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline has a molecular weight of 286.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 115340348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).