[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol

C8H9NO4 — CID 141238183

IUPAC[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol
SMILESCC1(c2cnc(CO)o2)OC=CO1
InChIInChI=1S/C8H9NO4/c1-8(11-2-3-12-8)6-4-9-7(5-10)13-6/h2-4,10H,5H2,1H3
InChIKeyMANPOZWPZBCQIQ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.86
Rot. Bonds2

About [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol

[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol (PubChem CID 141238183) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol
PubChem CID141238183
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol
SMILESCC1(c2cnc(CO)o2)OC=CO1
InChIInChI=1S/C8H9NO4/c1-8(11-2-3-12-8)6-4-9-7(5-10)13-6/h2-4,10H,5H2,1H3
InChIKeyMANPOZWPZBCQIQ-UHFFFAOYSA-N
XLogP0.86
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol?
The IUPAC name of [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol (CID 141238183) is [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol is CC1(c2cnc(CO)o2)OC=CO1.
What is the InChIKey of [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol?
The InChIKey is MANPOZWPZBCQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-8(11-2-3-12-8)6-4-9-7(5-10)13-6/h2-4,10H,5H2,1H3.
What are the key properties of [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol?
[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol has a molecular weight of 183.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 141238183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).