(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate

C13H16ClNO3 — CID 66267073

IUPAC(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
SMILESCNC1COCC1C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-15-12-8-17-7-11(12)13(16)18-6-9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3
InChIKeyNAMNVMYYZQOVQR-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.62
Rot. Bonds4

About (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate

(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate (PubChem CID 66267073) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
PubChem CID66267073
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate
SMILESCNC1COCC1C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-15-12-8-17-7-11(12)13(16)18-6-9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3
InChIKeyNAMNVMYYZQOVQR-UHFFFAOYSA-N
XLogP1.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-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 (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate (CID 66267073) is (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate is CNC1COCC1C(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate?
The InChIKey is NAMNVMYYZQOVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-15-12-8-17-7-11(12)13(16)18-6-9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3.
What are the key properties of (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate?
(4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate has a molecular weight of 269.73 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-(methylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66267073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).