methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate

C15H15ClN2O3 — CID 1476895

IUPACmethyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2Cl)noc1/C=C/N(C)C
InChIInChI=1S/C15H15ClN2O3/c1-18(2)9-8-12-13(15(19)20-3)14(17-21-12)10-6-4-5-7-11(10)16/h4-9H,1-3H3/b9-8+
InChIKeySRHXBSJTLUSGKP-CMDGGOBGSA-N
MW306.75 g/mol
LogP3.31
Rot. Bonds4

About methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate

methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate (PubChem CID 1476895) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate
PubChem CID1476895
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Namemethyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2Cl)noc1/C=C/N(C)C
InChIInChI=1S/C15H15ClN2O3/c1-18(2)9-8-12-13(15(19)20-3)14(17-21-12)10-6-4-5-7-11(10)16/h4-9H,1-3H3/b9-8+
InChIKeySRHXBSJTLUSGKP-CMDGGOBGSA-N
XLogP3.31
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-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-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate (CID 1476895) is methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccccc2Cl)noc1/C=C/N(C)C.
What is the InChIKey of methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate?
The InChIKey is SRHXBSJTLUSGKP-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-18(2)9-8-12-13(15(19)20-3)14(17-21-12)10-6-4-5-7-11(10)16/h4-9H,1-3H3/b9-8+.
What are the key properties of methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate?
methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate has a molecular weight of 306.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 1476895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).