3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

C24H25ClFN3O5 — CID 24980379

IUPAC3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OCC
InChIInChI=1S/C24H25ClFN3O5/c1-5-32-18-11-10-15(12-19(18)33-6-2)27-20(30)13-29(4)24(31)21-14(3)34-28-23(21)22-16(25)8-7-9-17(22)26/h7-12H,5-6,13H2,1-4H3,(H,27,30)
InChIKeyLWLNOKNYKUZBIX-UHFFFAOYSA-N
MW489.93 g/mol
LogP4.95
Rot. Bonds9

About 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 24980379) has the molecular formula C24H25ClFN3O5 and a molecular weight of 489.93 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID24980379
Molecular FormulaC24H25ClFN3O5
Molecular Weight489.93 g/mol
Exact Mass489.15
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OCC
InChIInChI=1S/C24H25ClFN3O5/c1-5-32-18-11-10-15(12-19(18)33-6-2)27-20(30)13-29(4)24(31)21-14(3)34-28-23(21)22-16(25)8-7-9-17(22)26/h7-12H,5-6,13H2,1-4H3,(H,27,30)
InChIKeyLWLNOKNYKUZBIX-UHFFFAOYSA-N
XLogP4.95
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.93
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-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

Related Compounds

3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2873224
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
CID 1022785
3-(2-chlorophenyl)-5-methyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 6483814
N-(3,4-Dimethoxyphenyl)-3-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-D]pyrimidin-5-YL]propanamide
CID 16023525
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 24980873
3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 46232485
3-(2-chlorophenyl)-N-(4-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232982
N-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1119211
3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1221918

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 24980379) is 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OCC.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is LWLNOKNYKUZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O5/c1-5-32-18-11-10-15(12-19(18)33-6-2)27-20(30)13-29(4)24(31)21-14(3)34-28-23(21)22-16(25)8-7-9-17(22)26/h7-12H,5-6,13H2,1-4H3,(H,27,30).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 489.93 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24980379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).