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

C6H11NO3 — CID 89224822

IUPAC[5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol
SMILESCC1=NOC(CO)(CO)C1
InChIInChI=1S/C6H11NO3/c1-5-2-6(3-8,4-9)10-7-5/h8-9H,2-4H2,1H3
InChIKeyPIVINOWTXBOZLN-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.49
Rot. Bonds2

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

[5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol (PubChem CID 89224822) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol
PubChem CID89224822
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol
SMILESCC1=NOC(CO)(CO)C1
InChIInChI=1S/C6H11NO3/c1-5-2-6(3-8,4-9)10-7-5/h8-9H,2-4H2,1H3
InChIKeyPIVINOWTXBOZLN-UHFFFAOYSA-N
XLogP-0.49
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol (CID 89224822) is [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol is CC1=NOC(CO)(CO)C1.
What is the InChIKey of [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol?
The InChIKey is PIVINOWTXBOZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5-2-6(3-8,4-9)10-7-5/h8-9H,2-4H2,1H3.
What are the key properties of [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol?
[5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol has a molecular weight of 145.16 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 89224822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).