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

C19H16N4O4 — CID 10970526

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide
SMILESCc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)no3)c3ccccc32)on1
InChIInChI=1S/C19H16N4O4/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)
InChIKeyXPQISQTXNWITMV-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.10
Rot. Bonds5

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

N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide (PubChem CID 10970526) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide
PubChem CID10970526
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide
SMILESCc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)no3)c3ccccc32)on1
InChIInChI=1S/C19H16N4O4/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)
InChIKeyXPQISQTXNWITMV-UHFFFAOYSA-N
XLogP3.10
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.10
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 N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of 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) is N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide is Cc1cc(Cn2cc(C(=O)C(=O)Nc3cc(C)no3)c3ccccc32)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is XPQISQTXNWITMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/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 N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 364.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 10970526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).