4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine

C13H13Cl2N3O2 — CID 133351370

IUPAC4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine
SMILESCC1COCCN1c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C13H13Cl2N3O2/c1-8-7-19-3-2-18(8)13-16-12(17-20-13)9-4-10(14)6-11(15)5-9/h4-6,8H,2-3,7H2,1H3
InChIKeyGPECBGHNOMJQFY-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.27
Rot. Bonds2

About 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine

4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine (PubChem CID 133351370) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine
PubChem CID133351370
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine
SMILESCC1COCCN1c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C13H13Cl2N3O2/c1-8-7-19-3-2-18(8)13-16-12(17-20-13)9-4-10(14)6-11(15)5-9/h4-6,8H,2-3,7H2,1H3
InChIKeyGPECBGHNOMJQFY-UHFFFAOYSA-N
XLogP3.27
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
2-[4-chloro-6-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-2-ol
CID 166983217
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
3,5-dichloro-N-methyl-6-(3-methylmorpholin-4-yl)pyridin-2-amine
CID 102756106
(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
CID 169304957
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]ethanesulfonamide
CID 133351602
cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 133350736

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine?
The IUPAC name of 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine (CID 133351370) is 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine?
The canonical SMILES for 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine is CC1COCCN1c1nc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine?
The InChIKey is GPECBGHNOMJQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-8-7-19-3-2-18(8)13-16-12(17-20-13)9-4-10(14)6-11(15)5-9/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine?
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine has a molecular weight of 314.17 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylmorpholine is sourced from PubChem (CID 133351370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).