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

C10H14N2O2 — CID 123621509

IUPAC1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCC=CC(=CC)c1nc(C(C)O)no1
InChIInChI=1S/C10H14N2O2/c1-4-6-8(5-2)10-11-9(7(3)13)12-14-10/h4-7,13H,1-3H3
InChIKeyPKOGYDNLDGKCKR-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.10
Rot. Bonds3

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

1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol (PubChem CID 123621509) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol
PubChem CID123621509
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCC=CC(=CC)c1nc(C(C)O)no1
InChIInChI=1S/C10H14N2O2/c1-4-6-8(5-2)10-11-9(7(3)13)12-14-10/h4-7,13H,1-3H3
InChIKeyPKOGYDNLDGKCKR-UHFFFAOYSA-N
XLogP2.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol?
The IUPAC name of 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol (CID 123621509) is 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol?
The canonical SMILES for 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol is CC=CC(=CC)c1nc(C(C)O)no1.
What is the InChIKey of 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol?
The InChIKey is PKOGYDNLDGKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-6-8(5-2)10-11-9(7(3)13)12-14-10/h4-7,13H,1-3H3.
What are the key properties of 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol?
1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol has a molecular weight of 194.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol is sourced from PubChem (CID 123621509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).