methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

C7H11NO3 — CID 22213571

IUPACmethyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@]1(C)CC(C)=NO1
InChIInChI=1S/C7H11NO3/c1-5-4-7(2,11-8-5)6(9)10-3/h4H2,1-3H3/t7-/m1/s1
InChIKeyCVRCYGNOUKGMOG-SSDOTTSWSA-N
MW157.17 g/mol
LogP0.71
Rot. Bonds1

About methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 22213571) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
PubChem CID22213571
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@]1(C)CC(C)=NO1
InChIInChI=1S/C7H11NO3/c1-5-4-7(2,11-8-5)6(9)10-3/h4H2,1-3H3/t7-/m1/s1
InChIKeyCVRCYGNOUKGMOG-SSDOTTSWSA-N
XLogP0.71
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-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 (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (CID 22213571) is methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is COC(=O)[C@@]1(C)CC(C)=NO1.
What is the InChIKey of methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is CVRCYGNOUKGMOG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-4-7(2,11-8-5)6(9)10-3/h4H2,1-3H3/t7-/m1/s1.
What are the key properties of methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 22213571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).