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

C19H16N4O3S — CID 10293154

IUPAC2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
SMILESCc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)on1
InChIInChI=1S/C19H16N4O3S/c1-11-7-13(26-21-11)9-23-10-15(14-5-3-4-6-16(14)23)18(24)19(25)20-17-8-12(2)22-27-17/h3-8,10H,9H2,1-2H3,(H,20,25)
InChIKeyNCACNRXZERQYMR-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-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide

2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide (PubChem CID 10293154) 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-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
PubChem CID10293154
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-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
SMILESCc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)on1
InChIInChI=1S/C19H16N4O3S/c1-11-7-13(26-21-11)9-23-10-15(14-5-3-4-6-16(14)23)18(24)19(25)20-17-8-12(2)22-27-17/h3-8,10H,9H2,1-2H3,(H,20,25)
InChIKeyNCACNRXZERQYMR-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-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide (CID 10293154) is 2-[1-[(3-methyl-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-methyl-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-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide is Cc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)on1.
What is the InChIKey of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The InChIKey is NCACNRXZERQYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-11-7-13(26-21-11)9-23-10-15(14-5-3-4-6-16(14)23)18(24)19(25)20-17-8-12(2)22-27-17/h3-8,10H,9H2,1-2H3,(H,20,25).
What are the key properties of 2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-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-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 10293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).