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

C8H14N2O3 — CID 102660354

IUPAC[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCCCOCCc1nc(CO)no1
InChIInChI=1S/C8H14N2O3/c1-2-4-12-5-3-8-9-7(6-11)10-13-8/h11H,2-6H2,1H3
InChIKeyNMEJSSPIFMUJHQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.53
Rot. Bonds6

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

[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660354) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660354
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCCCOCCc1nc(CO)no1
InChIInChI=1S/C8H14N2O3/c1-2-4-12-5-3-8-9-7(6-11)10-13-8/h11H,2-6H2,1H3
InChIKeyNMEJSSPIFMUJHQ-UHFFFAOYSA-N
XLogP0.53
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759
[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660376
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62715829
3-(chloromethyl)-5-(propoxymethyl)-1,2,4-oxadiazole
CID 107939303
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660181
1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345065
N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
CID 62336676
2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211755

Frequently Asked Questions

What is the IUPAC name of [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660354) is [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol is CCCOCCc1nc(CO)no1.
What is the InChIKey of [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is NMEJSSPIFMUJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-4-12-5-3-8-9-7(6-11)10-13-8/h11H,2-6H2,1H3.
What are the key properties of [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 186.21 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).