2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C19H21FN4O2S — CID 11963377

IUPAC2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2CN(C)C)n1
InChIInChI=1S/C19H21FN4O2S/c1-11(2)21-18(25)14-10-27-19(22-14)16-15(9-24(3)4)26-23-17(16)12-5-7-13(20)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,21,25)
InChIKeyJSIZZGXDDGIJON-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.80
Rot. Bonds6

About 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 11963377) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID11963377
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2CN(C)C)n1
InChIInChI=1S/C19H21FN4O2S/c1-11(2)21-18(25)14-10-27-19(22-14)16-15(9-24(3)4)26-23-17(16)12-5-7-13(20)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,21,25)
InChIKeyJSIZZGXDDGIJON-UHFFFAOYSA-N
XLogP3.80
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide 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 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 11963377) is 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2CN(C)C)n1.
What is the InChIKey of 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JSIZZGXDDGIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-11(2)21-18(25)14-10-27-19(22-14)16-15(9-24(3)4)26-23-17(16)12-5-7-13(20)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,21,25).
What are the key properties of 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11963377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).