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

C24H18N4O3S — CID 10972258

IUPACN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3cc(-c4ccccc4)no3)c3ccccc23)sn1
InChIInChI=1S/C24H18N4O3S/c1-15-11-22(32-27-15)25-24(30)23(29)19-14-28(21-10-6-5-9-18(19)21)13-17-12-20(26-31-17)16-7-3-2-4-8-16/h2-12,14H,13H2,1H3,(H,25,30)
InChIKeyZSIATSWILOZFJB-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.93
Rot. Bonds6

About N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide

N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide (PubChem CID 10972258) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
PubChem CID10972258
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3cc(-c4ccccc4)no3)c3ccccc23)sn1
InChIInChI=1S/C24H18N4O3S/c1-15-11-22(32-27-15)25-24(30)23(29)19-14-28(21-10-6-5-9-18(19)21)13-17-12-20(26-31-17)16-7-3-2-4-8-16/h2-12,14H,13H2,1H3,(H,25,30)
InChIKeyZSIATSWILOZFJB-UHFFFAOYSA-N
XLogP4.93
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.93
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-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The IUPAC name of 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) is N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3cc(-c4ccccc4)no3)c3ccccc23)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The InChIKey is ZSIATSWILOZFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-15-11-22(32-27-15)25-24(30)23(29)19-14-28(21-10-6-5-9-18(19)21)13-17-12-20(26-31-17)16-7-3-2-4-8-16/h2-12,14H,13H2,1H3,(H,25,30).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 4.93, 6 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-thiazol-5-yl)-2-oxo-2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide is sourced from PubChem (CID 10972258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).