N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C21H19N3O2S — CID 39703940

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCc1nc2ccccc2s1
InChIInChI=1S/C21H19N3O2S/c25-19(22-14-21-24-16-9-4-5-10-18(16)27-21)11-6-12-20-23-13-17(26-20)15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,22,25)
InChIKeyANBKIIDQJSPEHE-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.59
Rot. Bonds7

About N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 39703940) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID39703940
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCc1nc2ccccc2s1
InChIInChI=1S/C21H19N3O2S/c25-19(22-14-21-24-16-9-4-5-10-18(16)27-21)11-6-12-20-23-13-17(26-20)15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,22,25)
InChIKeyANBKIIDQJSPEHE-UHFFFAOYSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide 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

4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
CID 55690441
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38938009
N-[4-(1,3-benzothiazol-2-ylmethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 38285048
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51312913
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 122133901

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 39703940) is N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is ANBKIIDQJSPEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-19(22-14-21-24-16-9-4-5-10-18(16)27-21)11-6-12-20-23-13-17(26-20)15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,22,25).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 377.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 39703940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).