1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol

C8H13N3O3 — CID 116808953

IUPAC1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCC(O)c1nc(N2CCOCC2)no1
InChIInChI=1S/C8H13N3O3/c1-6(12)7-9-8(10-14-7)11-2-4-13-5-3-11/h6,12H,2-5H2,1H3
InChIKeyCRLVFHAQHGRONU-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.04
Rot. Bonds2

About 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol

1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 116808953) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID116808953
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCC(O)c1nc(N2CCOCC2)no1
InChIInChI=1S/C8H13N3O3/c1-6(12)7-9-8(10-14-7)11-2-4-13-5-3-11/h6,12H,2-5H2,1H3
InChIKeyCRLVFHAQHGRONU-UHFFFAOYSA-N
XLogP-0.04
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808604
N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809225
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 116808910
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 116808746
(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130563986
3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807488
4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 116805998

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol (CID 116808953) is 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol is CC(O)c1nc(N2CCOCC2)no1.
What is the InChIKey of 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is CRLVFHAQHGRONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6(12)7-9-8(10-14-7)11-2-4-13-5-3-11/h6,12H,2-5H2,1H3.
What are the key properties of 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 199.21 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 116808953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).