4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine

C10H16ClN3O2 — CID 106957235

IUPAC4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine
SMILESCC(Cl)c1nnc(N2CCOCC2(C)C)o1
InChIInChI=1S/C10H16ClN3O2/c1-7(11)8-12-13-9(16-8)14-4-5-15-6-10(14,2)3/h7H,4-6H2,1-3H3
InChIKeyDDZLCRLYQTXDSU-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.98
Rot. Bonds2

About 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine

4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine (PubChem CID 106957235) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine
PubChem CID106957235
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine
SMILESCC(Cl)c1nnc(N2CCOCC2(C)C)o1
InChIInChI=1S/C10H16ClN3O2/c1-7(11)8-12-13-9(16-8)14-4-5-15-6-10(14,2)3/h7H,4-6H2,1-3H3
InChIKeyDDZLCRLYQTXDSU-UHFFFAOYSA-N
XLogP1.98
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 106956357
1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-4-methylazepan-4-ol
CID 107409278
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
CID 139316134
1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-1,4-diazepan-5-one
CID 106957655
2-(4-tert-butylpiperidin-1-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 106957511
2-(1-chloroethyl)-5-(2-ethylazepan-1-yl)-1,3,4-oxadiazole
CID 106958564
2-(1-chloroethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 16768064
[1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol
CID 106958853
(1R)-1-[4-(3,3-dimethylmorpholin-4-yl)phenyl]ethanamine
CID 78934940
3-(3,3-dimethylmorpholin-4-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 61430477
4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine
CID 91211970
5-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361787

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine (CID 106957235) is 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine is CC(Cl)c1nnc(N2CCOCC2(C)C)o1.
What is the InChIKey of 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine?
The InChIKey is DDZLCRLYQTXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7(11)8-12-13-9(16-8)14-4-5-15-6-10(14,2)3/h7H,4-6H2,1-3H3.
What are the key properties of 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine?
4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine has a molecular weight of 245.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine is sourced from PubChem (CID 106957235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).