(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate

C19H20N2O3 — CID 2124287

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C19H20N2O3/c1-12-10-17(14(3)21(12)16-8-6-5-7-9-16)19(22)23-11-18-13(2)20-24-15(18)4/h5-10H,11H2,1-4H3
InChIKeyJGZTYAPTVLIRIO-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.06
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate (PubChem CID 2124287) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
PubChem CID2124287
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C19H20N2O3/c1-12-10-17(14(3)21(12)16-8-6-5-7-9-16)19(22)23-11-18-13(2)20-24-15(18)4/h5-10H,11H2,1-4H3
InChIKeyJGZTYAPTVLIRIO-UHFFFAOYSA-N
XLogP4.06
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-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

Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 32924617
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2098412
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 31133358
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 4802652
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30472941
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2402062
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 18202987
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
CID 18074027
(2-oxo-2-piperidin-1-ylethyl) 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2385297

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate (CID 2124287) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate is Cc1noc(C)c1COC(=O)c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The InChIKey is JGZTYAPTVLIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-10-17(14(3)21(12)16-8-6-5-7-9-16)19(22)23-11-18-13(2)20-24-15(18)4/h5-10H,11H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 2124287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).