4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one

C5H7NO3 — CID 91067375

IUPAC4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one
SMILESCC1=NC(CO)C(=O)O1
InChIInChI=1S/C5H7NO3/c1-3-6-4(2-7)5(8)9-3/h4,7H,2H2,1H3
InChIKeyVPNXRWHRAAGIKG-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.68
Rot. Bonds1

About 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one

4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one (PubChem CID 91067375) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one
PubChem CID91067375
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one
SMILESCC1=NC(CO)C(=O)O1
InChIInChI=1S/C5H7NO3/c1-3-6-4(2-7)5(8)9-3/h4,7H,2H2,1H3
InChIKeyVPNXRWHRAAGIKG-UHFFFAOYSA-N
XLogP-0.68
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one (CID 91067375) is 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one is CC1=NC(CO)C(=O)O1.
What is the InChIKey of 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one?
The InChIKey is VPNXRWHRAAGIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-3-6-4(2-7)5(8)9-3/h4,7H,2H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one?
4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one has a molecular weight of 129.11 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 91067375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).