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

C18H14N4O3S — CID 11100631

IUPACN-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccno3)c3ccccc23)sn1
InChIInChI=1S/C18H14N4O3S/c1-11-8-16(26-21-11)20-18(24)17(23)14-10-22(9-12-6-7-19-25-12)15-5-3-2-4-13(14)15/h2-8,10H,9H2,1H3,(H,20,24)
InChIKeyROLCNFHVHZJEKX-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.26
Rot. Bonds5

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

N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 11100631) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide
PubChem CID11100631
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccno3)c3ccccc23)sn1
InChIInChI=1S/C18H14N4O3S/c1-11-8-16(26-21-11)20-18(24)17(23)14-10-22(9-12-6-7-19-25-12)15-5-3-2-4-13(14)15/h2-8,10H,9H2,1H3,(H,20,24)
InChIKeyROLCNFHVHZJEKX-UHFFFAOYSA-N
XLogP3.26
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.26
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-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide (CID 11100631) is N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3ccno3)c3ccccc23)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is ROLCNFHVHZJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-11-8-16(26-21-11)20-18(24)17(23)14-10-22(9-12-6-7-19-25-12)15-5-3-2-4-13(14)15/h2-8,10H,9H2,1H3,(H,20,24).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide?
N-(3-methyl-1,2-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 366.40 g/mol, XLogP of 3.26, 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-thiazol-5-yl)-2-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 11100631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).