3-methyl-1,3-oxazol-2-one

C4H5NO2 — CID 11987858

IUPAC3-methyl-1,3-oxazol-2-one
SMILESCn1ccoc1=O
InChIInChI=1S/C4H5NO2/c1-5-2-3-7-4(5)6/h2-3H,1H3
InChIKeyPREOEEDHHXCXJX-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.02
Rot. Bonds

About 3-methyl-1,3-oxazol-2-one

3-methyl-1,3-oxazol-2-one (PubChem CID 11987858) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 3-methyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-methyl-1,3-oxazol-2-one
PubChem CID11987858
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name3-methyl-1,3-oxazol-2-one
SMILESCn1ccoc1=O
InChIInChI=1S/C4H5NO2/c1-5-2-3-7-4(5)6/h2-3H,1H3
InChIKeyPREOEEDHHXCXJX-UHFFFAOYSA-N
XLogP-0.02
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazol-2-one?
The IUPAC name of 3-methyl-1,3-oxazol-2-one (CID 11987858) is 3-methyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-methyl-1,3-oxazol-2-one?
The canonical SMILES for 3-methyl-1,3-oxazol-2-one is Cn1ccoc1=O.
What is the InChIKey of 3-methyl-1,3-oxazol-2-one?
The InChIKey is PREOEEDHHXCXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-5-2-3-7-4(5)6/h2-3H,1H3.
What are the key properties of 3-methyl-1,3-oxazol-2-one?
3-methyl-1,3-oxazol-2-one has a molecular weight of 99.09 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 11987858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).