[5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol

C10H10N4O2 — CID 170223891

IUPAC[5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol
SMILESC/C=C(\c1cncnc1)c1nnc(CO)o1
InChIInChI=1S/C10H10N4O2/c1-2-8(7-3-11-6-12-4-7)10-14-13-9(5-15)16-10/h2-4,6,15H,5H2,1H3/b8-2+
InChIKeyFXGMJFTZURHWQR-KRXBUXKQSA-N
MW218.22 g/mol
LogP0.80
Rot. Bonds3

About [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol

[5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol (PubChem CID 170223891) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol
PubChem CID170223891
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name[5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol
SMILESC/C=C(\c1cncnc1)c1nnc(CO)o1
InChIInChI=1S/C10H10N4O2/c1-2-8(7-3-11-6-12-4-7)10-14-13-9(5-15)16-10/h2-4,6,15H,5H2,1H3/b8-2+
InChIKeyFXGMJFTZURHWQR-KRXBUXKQSA-N
XLogP0.80
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol?
The IUPAC name of [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol (CID 170223891) is [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol.
What is the SMILES notation for [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol?
The canonical SMILES for [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol is C/C=C(\c1cncnc1)c1nnc(CO)o1.
What is the InChIKey of [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol?
The InChIKey is FXGMJFTZURHWQR-KRXBUXKQSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-8(7-3-11-6-12-4-7)10-14-13-9(5-15)16-10/h2-4,6,15H,5H2,1H3/b8-2+.
What are the key properties of [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol?
[5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol has a molecular weight of 218.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,3,4-oxadiazol-2-yl]methanol is sourced from PubChem (CID 170223891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).