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

C13H15ClN4O2 — CID 79077142

IUPAC4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCN1CCOC(c2noc(-c3cc(N)ccc3Cl)n2)C1
InChIInChI=1S/C13H15ClN4O2/c1-18-4-5-19-11(7-18)12-16-13(20-17-12)9-6-8(15)2-3-10(9)14/h2-3,6,11H,4-5,7,15H2,1H3
InChIKeyOCVUIVAZBBMYSC-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.98
Rot. Bonds2

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

4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 79077142) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID79077142
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCN1CCOC(c2noc(-c3cc(N)ccc3Cl)n2)C1
InChIInChI=1S/C13H15ClN4O2/c1-18-4-5-19-11(7-18)12-16-13(20-17-12)9-6-8(15)2-3-10(9)14/h2-3,6,11H,4-5,7,15H2,1H3
InChIKeyOCVUIVAZBBMYSC-UHFFFAOYSA-N
XLogP1.98
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 79077142) is 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline is CN1CCOC(c2noc(-c3cc(N)ccc3Cl)n2)C1.
What is the InChIKey of 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is OCVUIVAZBBMYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-18-4-5-19-11(7-18)12-16-13(20-17-12)9-6-8(15)2-3-10(9)14/h2-3,6,11H,4-5,7,15H2,1H3.
What are the key properties of 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 294.74 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 79077142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).