3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

C20H16FN3O2S — CID 16591529

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2c1
InChIInChI=1S/C20H16FN3O2S/c1-12-6-7-15-17(10-12)27-20(23-15)24-18(25)8-9-19-22-11-16(26-19)13-4-2-3-5-14(13)21/h2-7,10-11H,8-9H2,1H3,(H,23,24,25)
InChIKeyLSEKYWAQHRJBSW-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.97
Rot. Bonds5

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 16591529) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID16591529
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2c1
InChIInChI=1S/C20H16FN3O2S/c1-12-6-7-15-17(10-12)27-20(23-15)24-18(25)8-9-19-22-11-16(26-19)13-4-2-3-5-14(13)21/h2-7,10-11H,8-9H2,1H3,(H,23,24,25)
InChIKeyLSEKYWAQHRJBSW-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide 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-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 29496795
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24599330
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32868629
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86836130
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 24608720
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CID 16591529) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2c1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is LSEKYWAQHRJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-12-6-7-15-17(10-12)27-20(23-15)24-18(25)8-9-19-22-11-16(26-19)13-4-2-3-5-14(13)21/h2-7,10-11H,8-9H2,1H3,(H,23,24,25).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 381.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 16591529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).