[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

C15H19N3O3 — CID 79663048

IUPAC[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCCN1CCOC(c2noc(C(O)c3ccccc3)n2)C1
InChIInChI=1S/C15H19N3O3/c1-2-18-8-9-20-12(10-18)14-16-15(21-17-14)13(19)11-6-4-3-5-7-11/h3-7,12-13,19H,2,8-10H2,1H3
InChIKeyVVJDNZHLAZEYQN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.54
Rot. Bonds4

About [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 79663048) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID79663048
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCCN1CCOC(c2noc(C(O)c3ccccc3)n2)C1
InChIInChI=1S/C15H19N3O3/c1-2-18-8-9-20-12(10-18)14-16-15(21-17-14)13(19)11-6-4-3-5-7-11/h3-7,12-13,19H,2,8-10H2,1H3
InChIKeyVVJDNZHLAZEYQN-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285009
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79666401
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 79094042
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904167
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
4-(4-ethylmorpholin-2-yl)-6-phenyl-1,3,5-triazin-2-amine
CID 79663052
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79669363
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79665325
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79666825

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 79663048) is [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is CCN1CCOC(c2noc(C(O)c3ccccc3)n2)C1.
What is the InChIKey of [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is VVJDNZHLAZEYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-18-8-9-20-12(10-18)14-16-15(21-17-14)13(19)11-6-4-3-5-7-11/h3-7,12-13,19H,2,8-10H2,1H3.
What are the key properties of [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 289.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 79663048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).