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

C9H12N2O4 — CID 105465745

IUPACmethyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N)noc1C1CCOC1
InChIInChI=1S/C9H12N2O4/c1-13-9(12)6-7(15-11-8(6)10)5-2-3-14-4-5/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyPGVPGNORIMSYMA-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.55
Rot. Bonds2

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

methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate (PubChem CID 105465745) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
PubChem CID105465745
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(N)noc1C1CCOC1
InChIInChI=1S/C9H12N2O4/c1-13-9(12)6-7(15-11-8(6)10)5-2-3-14-4-5/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyPGVPGNORIMSYMA-UHFFFAOYSA-N
XLogP0.55
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-5-(oxolan-3-yl)-1,2-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 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate (CID 105465745) is methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate is COC(=O)c1c(N)noc1C1CCOC1.
What is the InChIKey of methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate?
The InChIKey is PGVPGNORIMSYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-13-9(12)6-7(15-11-8(6)10)5-2-3-14-4-5/h5H,2-4H2,1H3,(H2,10,11).
What are the key properties of methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate?
methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 105465745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).