4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C17H17Cl2N5O2 — CID 133365171

IUPAC4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)CCO2)cn1
InChIInChI=1S/C17H17Cl2N5O2/c1-17(12-8-20-23(2)9-12)10-24(3-4-25-17)16-21-15(22-26-16)11-5-13(18)7-14(19)6-11/h5-9H,3-4,10H2,1-2H3
InChIKeyIJLZPVFJTFNLPL-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.53
Rot. Bonds3

About 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 133365171) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID133365171
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)CCO2)cn1
InChIInChI=1S/C17H17Cl2N5O2/c1-17(12-8-20-23(2)9-12)10-24(3-4-25-17)16-21-15(22-26-16)11-5-13(18)7-14(19)6-11/h5-9H,3-4,10H2,1-2H3
InChIKeyIJLZPVFJTFNLPL-UHFFFAOYSA-N
XLogP3.53
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 133365171) is 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2(C)CN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)CCO2)cn1.
What is the InChIKey of 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is IJLZPVFJTFNLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-17(12-8-20-23(2)9-12)10-24(3-4-25-17)16-21-15(22-26-16)11-5-13(18)7-14(19)6-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 394.26 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 133365171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).