N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C20H16ClN3O2S — CID 34260376

IUPACN-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C20H16ClN3O2S/c1-24(20-23-15-4-2-3-5-17(15)27-20)19(25)11-10-18-22-12-16(26-18)13-6-8-14(21)9-7-13/h2-9,12H,10-11H2,1H3
InChIKeyJHVANZBIRUPYRX-UHFFFAOYSA-N
MW397.89 g/mol
LogP5.20
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 34260376) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID34260376
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C20H16ClN3O2S/c1-24(20-23-15-4-2-3-5-17(15)27-20)19(25)11-10-18-22-12-16(26-18)13-6-8-14(21)9-7-13/h2-9,12H,10-11H2,1H3
InChIKeyJHVANZBIRUPYRX-UHFFFAOYSA-N
XLogP5.20
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.89
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide 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-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51312913
N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 34256400
N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 60622214
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 30902236
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16600650
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 134011407
N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 84586908
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38259815
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 38229038
3-(1,3-benzothiazol-2-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 112792748
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 34260376) is N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is JHVANZBIRUPYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c1-24(20-23-15-4-2-3-5-17(15)27-20)19(25)11-10-18-22-12-16(26-18)13-6-8-14(21)9-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 397.89 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 34260376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).