2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine

C14H16ClN3O3 — CID 167993104

IUPAC2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESCOC(c1noc(C2CNCCO2)n1)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-19-12(9-4-2-3-5-10(9)15)13-17-14(21-18-13)11-8-16-6-7-20-11/h2-5,11-12,16H,6-8H2,1H3
InChIKeyZTKFFBFFQQOCPE-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.12
Rot. Bonds4

About 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine

2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 167993104) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID167993104
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESCOC(c1noc(C2CNCCO2)n1)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-19-12(9-4-2-3-5-10(9)15)13-17-14(21-18-13)11-8-16-6-7-20-11/h2-5,11-12,16H,6-8H2,1H3
InChIKeyZTKFFBFFQQOCPE-UHFFFAOYSA-N
XLogP2.12
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718
1-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
CID 130683849
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120834903
2-(2-chloro-6-methylsulfanylphenyl)morpholine
CID 117361636
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104609675

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine (CID 167993104) is 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine is COC(c1noc(C2CNCCO2)n1)c1ccccc1Cl.
What is the InChIKey of 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is ZTKFFBFFQQOCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-19-12(9-4-2-3-5-10(9)15)13-17-14(21-18-13)11-8-16-6-7-20-11/h2-5,11-12,16H,6-8H2,1H3.
What are the key properties of 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine?
2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 309.75 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)-methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 167993104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).