[5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol

C9H11NO4 — CID 141132476

IUPAC[5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol
SMILESCc1onc(CO)c1C1(C)OC=CO1
InChIInChI=1S/C9H11NO4/c1-6-8(7(5-11)10-14-6)9(2)12-3-4-13-9/h3-4,11H,5H2,1-2H3
InChIKeyKPFXCXRJISCBHA-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.17
Rot. Bonds2

About [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol

[5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol (PubChem CID 141132476) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol
PubChem CID141132476
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name[5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol
SMILESCc1onc(CO)c1C1(C)OC=CO1
InChIInChI=1S/C9H11NO4/c1-6-8(7(5-11)10-14-6)9(2)12-3-4-13-9/h3-4,11H,5H2,1-2H3
InChIKeyKPFXCXRJISCBHA-UHFFFAOYSA-N
XLogP1.17
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol (CID 141132476) is [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol is Cc1onc(CO)c1C1(C)OC=CO1.
What is the InChIKey of [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol?
The InChIKey is KPFXCXRJISCBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-8(7(5-11)10-14-6)9(2)12-3-4-13-9/h3-4,11H,5H2,1-2H3.
What are the key properties of [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol?
[5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol has a molecular weight of 197.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 141132476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).