2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide

C20H18N4O3S — CID 10960215

IUPAC2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
SMILESCCc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)on1
InChIInChI=1S/C20H18N4O3S/c1-3-13-9-14(27-22-13)10-24-11-16(15-6-4-5-7-17(15)24)19(25)20(26)21-18-8-12(2)23-28-18/h4-9,11H,3,10H2,1-2H3,(H,21,26)
InChIKeyNWMPJTAUTGJLCJ-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.83
Rot. Bonds6

About 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide

2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide (PubChem CID 10960215) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
PubChem CID10960215
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
SMILESCCc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)on1
InChIInChI=1S/C20H18N4O3S/c1-3-13-9-14(27-22-13)10-24-11-16(15-6-4-5-7-17(15)24)19(25)20(26)21-18-8-12(2)23-28-18/h4-9,11H,3,10H2,1-2H3,(H,21,26)
InChIKeyNWMPJTAUTGJLCJ-UHFFFAOYSA-N
XLogP3.83
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide 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-(3-methylisothiazol-5-yl)-2-[1-(3-methylisoxazol-5-ylmethyl)-1H-indol-3-yl]-2-oxoacetamide
CID 10293154
N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
CID 10873244
N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide
CID 10970526
N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
CID 10972258
N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-3-ylmethyl)indol-3-yl]acetamide
CID 11047055
N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide
CID 11100631
2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 11111304
2-[1-(furan-3-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 11132268
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
CID 11811669
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-oxazol-5-yl)-2-oxoacetamide
CID 10915982
N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetamide
CID 10926910
N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
CID 10992155

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide (CID 10960215) is 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide is CCc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)on1.
What is the InChIKey of 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The InChIKey is NWMPJTAUTGJLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-3-13-9-14(27-22-13)10-24-11-16(15-6-4-5-7-17(15)24)19(25)20(26)21-18-8-12(2)23-28-18/h4-9,11H,3,10H2,1-2H3,(H,21,26).
What are the key properties of 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide has a molecular weight of 394.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 10960215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).