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

C10H16ClN3O3 — CID 106958218

IUPAC[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nnc(CCCl)o1
InChIInChI=1S/C10H16ClN3O3/c1-7-6-16-8(5-15)4-14(7)10-13-12-9(17-10)2-3-11/h7-8,15H,2-6H2,1H3
InChIKeyPTZIJKQAPAEQIJ-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.44
Rot. Bonds4

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

[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol (PubChem CID 106958218) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol
PubChem CID106958218
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nnc(CCCl)o1
InChIInChI=1S/C10H16ClN3O3/c1-7-6-16-8(5-15)4-14(7)10-13-12-9(17-10)2-3-11/h7-8,15H,2-6H2,1H3
InChIKeyPTZIJKQAPAEQIJ-UHFFFAOYSA-N
XLogP0.44
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol
CID 106963375
2-(2-chloroethyl)-5-(2,6-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106957832
[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106956508
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol
CID 106959217
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962581
[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 81208068
[4-(5-bromopyridazin-3-yl)-5-methylmorpholin-2-yl]methanol
CID 131963742
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999
[4-[6-(hydroxymethyl)pyrazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81219850

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol (CID 106958218) is [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1nnc(CCCl)o1.
What is the InChIKey of [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is PTZIJKQAPAEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-7-6-16-8(5-15)4-14(7)10-13-12-9(17-10)2-3-11/h7-8,15H,2-6H2,1H3.
What are the key properties of [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol?
[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 261.71 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 106958218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).