2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

C19H16N4O3S — CID 11003401

IUPAC2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCc1cc(Cn2cc(C(=O)C(=O)Nc3nc(C)cs3)c3ccccc32)on1
InChIInChI=1S/C19H16N4O3S/c1-11-7-13(26-22-11)8-23-9-15(14-5-3-4-6-16(14)23)17(24)18(25)21-19-20-12(2)10-27-19/h3-7,9-10H,8H2,1-2H3,(H,20,21,25)
InChIKeyPBKKSRJQAGMNOL-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.57
Rot. Bonds5

About 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide (PubChem CID 11003401) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
PubChem CID11003401
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCc1cc(Cn2cc(C(=O)C(=O)Nc3nc(C)cs3)c3ccccc32)on1
InChIInChI=1S/C19H16N4O3S/c1-11-7-13(26-22-11)8-23-9-15(14-5-3-4-6-16(14)23)17(24)18(25)21-19-20-12(2)10-27-19/h3-7,9-10H,8H2,1-2H3,(H,20,21,25)
InChIKeyPBKKSRJQAGMNOL-UHFFFAOYSA-N
XLogP3.57
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide (CID 11003401) is 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide is Cc1cc(Cn2cc(C(=O)C(=O)Nc3nc(C)cs3)c3ccccc32)on1.
What is the InChIKey of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The InChIKey is PBKKSRJQAGMNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-11-7-13(26-22-11)8-23-9-15(14-5-3-4-6-16(14)23)17(24)18(25)21-19-20-12(2)10-27-19/h3-7,9-10H,8H2,1-2H3,(H,20,21,25).
What are the key properties of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide has a molecular weight of 380.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 11003401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).