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

C15H19N3O3 — CID 79094042

IUPAC2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESCN1CCOC(c2noc(CC(O)c3ccccc3)n2)C1
InChIInChI=1S/C15H19N3O3/c1-18-7-8-20-13(10-18)15-16-14(21-17-15)9-12(19)11-5-3-2-4-6-11/h2-6,12-13,19H,7-10H2,1H3
InChIKeyBPCGDGMWQUZRCZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.35
Rot. Bonds4

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

2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (PubChem CID 79094042) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
PubChem CID79094042
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
SMILESCN1CCOC(c2noc(CC(O)c3ccccc3)n2)C1
InChIInChI=1S/C15H19N3O3/c1-18-7-8-20-13(10-18)15-16-14(21-17-15)9-12(19)11-5-3-2-4-6-11/h2-6,12-13,19H,7-10H2,1H3
InChIKeyBPCGDGMWQUZRCZ-UHFFFAOYSA-N
XLogP1.35
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The IUPAC name of 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol (CID 79094042) is 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The canonical SMILES for 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is CN1CCOC(c2noc(CC(O)c3ccccc3)n2)C1.
What is the InChIKey of 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
The InChIKey is BPCGDGMWQUZRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-7-8-20-13(10-18)15-16-14(21-17-15)9-12(19)11-5-3-2-4-6-11/h2-6,12-13,19H,7-10H2,1H3.
What are the key properties of 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol?
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol has a molecular weight of 289.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 79094042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).