3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H26ClN3O2 — CID 110623949

IUPAC3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCC(c1cccc(Cl)c1)N(C)C
InChIInChI=1S/C19H26ClN3O2/c1-12-16(17(22-25-12)19(2,3)4)18(24)21-11-15(23(5)6)13-8-7-9-14(20)10-13/h7-10,15H,11H2,1-6H3,(H,21,24)
InChIKeyBBDGUNTVMDTACH-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.97
Rot. Bonds5

About 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110623949) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110623949
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)NCC(c1cccc(Cl)c1)N(C)C
InChIInChI=1S/C19H26ClN3O2/c1-12-16(17(22-25-12)19(2,3)4)18(24)21-11-15(23(5)6)13-8-7-9-14(20)10-13/h7-10,15H,11H2,1-6H3,(H,21,24)
InChIKeyBBDGUNTVMDTACH-UHFFFAOYSA-N
XLogP3.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-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

N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-tert-butyl-5-methyl-1,2-oxazole-4-carboxamide
CID 110427593
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764465
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110304253
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97313575
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46979917
3-tert-butyl-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110409295
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112764534
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
3-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 90558002
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 167771106

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 110623949) is 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)NCC(c1cccc(Cl)c1)N(C)C.
What is the InChIKey of 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BBDGUNTVMDTACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-12-16(17(22-25-12)19(2,3)4)18(24)21-11-15(23(5)6)13-8-7-9-14(20)10-13/h7-10,15H,11H2,1-6H3,(H,21,24).
What are the key properties of 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110623949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).