3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine

C13H14ClN3O2 — CID 107099560

IUPAC3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1c(Cl)cccc1-c1nc(C2COCCN2)no1
InChIInChI=1S/C13H14ClN3O2/c1-8-9(3-2-4-10(8)14)13-16-12(17-19-13)11-7-18-6-5-15-11/h2-4,11,15H,5-7H2,1H3
InChIKeyIVCVUWAOSKPQDN-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.36
Rot. Bonds2

About 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine

3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 107099560) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID107099560
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCc1c(Cl)cccc1-c1nc(C2COCCN2)no1
InChIInChI=1S/C13H14ClN3O2/c1-8-9(3-2-4-10(8)14)13-16-12(17-19-13)11-7-18-6-5-15-11/h2-4,11,15H,5-7H2,1H3
InChIKeyIVCVUWAOSKPQDN-UHFFFAOYSA-N
XLogP2.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971569
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-(azetidin-2-yl)-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 90422132
3-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971488
3-[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 136883340
3-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971456
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75484051
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 107099625
3-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360122

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 107099560) is 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is Cc1c(Cl)cccc1-c1nc(C2COCCN2)no1.
What is the InChIKey of 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is IVCVUWAOSKPQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-9(3-2-4-10(8)14)13-16-12(17-19-13)11-7-18-6-5-15-11/h2-4,11,15H,5-7H2,1H3.
What are the key properties of 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 279.73 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 107099560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).