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

C10H17N3O3 — CID 116808961

IUPAC3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1nc(N2CCOCC2)no1
InChIInChI=1S/C10H17N3O3/c1-7(8(2)14)9-11-10(12-16-9)13-3-5-15-6-4-13/h7-8,14H,3-6H2,1-2H3
InChIKeyGZZJMBLXEADDDS-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.39
Rot. Bonds3

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

3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 116808961) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID116808961
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1nc(N2CCOCC2)no1
InChIInChI=1S/C10H17N3O3/c1-7(8(2)14)9-11-10(12-16-9)13-3-5-15-6-4-13/h7-8,14H,3-6H2,1-2H3
InChIKeyGZZJMBLXEADDDS-UHFFFAOYSA-N
XLogP0.39
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
(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
1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 116808945
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
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 116808961) is 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC(O)C(C)c1nc(N2CCOCC2)no1.
What is the InChIKey of 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is GZZJMBLXEADDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(8(2)14)9-11-10(12-16-9)13-3-5-15-6-4-13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 227.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 116808961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).