[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid

C7H10N2O4 — CID 89303242

IUPAC[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid
SMILESCN(Cc1cc(CO)on1)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-9(7(11)12)3-5-2-6(4-10)13-8-5/h2,10H,3-4H2,1H3,(H,11,12)
InChIKeyWCWSYXATVIRYEC-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.28
Rot. Bonds3

About [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid

[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid (PubChem CID 89303242) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid
PubChem CID89303242
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid
SMILESCN(Cc1cc(CO)on1)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-9(7(11)12)3-5-2-6(4-10)13-8-5/h2,10H,3-4H2,1H3,(H,11,12)
InChIKeyWCWSYXATVIRYEC-UHFFFAOYSA-N
XLogP0.28
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid?
The IUPAC name of [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid (CID 89303242) is [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid.
What is the SMILES notation for [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid?
The canonical SMILES for [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid is CN(Cc1cc(CO)on1)C(=O)O.
What is the InChIKey of [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid?
The InChIKey is WCWSYXATVIRYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-9(7(11)12)3-5-2-6(4-10)13-8-5/h2,10H,3-4H2,1H3,(H,11,12).
What are the key properties of [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid?
[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid has a molecular weight of 186.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 89303242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).