methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate

C9H11NO4 — CID 130058460

IUPACmethyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C2COC2)oc1C
InChIInChI=1S/C9H11NO4/c1-5-7(9(11)12-2)10-8(14-5)6-3-13-4-6/h6H,3-4H2,1-2H3
InChIKeyGFCJCNMKUBKQOM-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.88
Rot. Bonds2

About methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate

methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 130058460) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID130058460
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C2COC2)oc1C
InChIInChI=1S/C9H11NO4/c1-5-7(9(11)12-2)10-8(14-5)6-3-13-4-6/h6H,3-4H2,1-2H3
InChIKeyGFCJCNMKUBKQOM-UHFFFAOYSA-N
XLogP0.88
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate (CID 130058460) is methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate is COC(=O)c1nc(C2COC2)oc1C.
What is the InChIKey of methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is GFCJCNMKUBKQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5-7(9(11)12-2)10-8(14-5)6-3-13-4-6/h6H,3-4H2,1-2H3.
What are the key properties of methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate?
methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(oxetan-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 130058460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).