(E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol

C8H11NO3 — CID 122231610

IUPAC(E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol
SMILESC[C@H](O)[C@@H](O)/C=C/c1cocn1
InChIInChI=1S/C8H11NO3/c1-6(10)8(11)3-2-7-4-12-5-9-7/h2-6,8,10-11H,1H3/b3-2+/t6-,8-/m0/s1
InChIKeyOJHXOUXLAAAJPT-ZSSFWIJDSA-N
MW169.18 g/mol
LogP0.43
Rot. Bonds3

About (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol

(E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol (PubChem CID 122231610) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol.

Molecular Properties

Compound Name(E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol
PubChem CID122231610
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol
SMILESC[C@H](O)[C@@H](O)/C=C/c1cocn1
InChIInChI=1S/C8H11NO3/c1-6(10)8(11)3-2-7-4-12-5-9-7/h2-6,8,10-11H,1H3/b3-2+/t6-,8-/m0/s1
InChIKeyOJHXOUXLAAAJPT-ZSSFWIJDSA-N
XLogP0.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol?
The IUPAC name of (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol (CID 122231610) is (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol.
What is the SMILES notation for (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol?
The canonical SMILES for (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol is C[C@H](O)[C@@H](O)/C=C/c1cocn1.
What is the InChIKey of (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol?
The InChIKey is OJHXOUXLAAAJPT-ZSSFWIJDSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)8(11)3-2-7-4-12-5-9-7/h2-6,8,10-11H,1H3/b3-2+/t6-,8-/m0/s1.
What are the key properties of (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol?
(E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol has a molecular weight of 169.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-5-(1,3-oxazol-4-yl)pent-4-ene-2,3-diol is sourced from PubChem (CID 122231610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).