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

C19H15N3O3S — CID 10992155

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccsc3)c3ccccc23)on1
InChIInChI=1S/C19H15N3O3S/c1-12-8-17(25-21-12)20-19(24)18(23)15-10-22(9-13-6-7-26-11-13)16-5-3-2-4-14(15)16/h2-8,10-11H,9H2,1H3,(H,20,24)
InChIKeyBXFZYMUGBZXOAZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.87
Rot. Bonds5

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

N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide (PubChem CID 10992155) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
PubChem CID10992155
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccsc3)c3ccccc23)on1
InChIInChI=1S/C19H15N3O3S/c1-12-8-17(25-21-12)20-19(24)18(23)15-10-22(9-13-6-7-26-11-13)16-5-3-2-4-14(15)16/h2-8,10-11H,9H2,1H3,(H,20,24)
InChIKeyBXFZYMUGBZXOAZ-UHFFFAOYSA-N
XLogP3.87
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide (CID 10992155) is N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3ccsc3)c3ccccc23)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide?
The InChIKey is BXFZYMUGBZXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-12-8-17(25-21-12)20-19(24)18(23)15-10-22(9-13-6-7-26-11-13)16-5-3-2-4-14(15)16/h2-8,10-11H,9H2,1H3,(H,20,24).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide has a molecular weight of 365.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-[1-(thiophen-3-ylmethyl)indol-3-yl]acetamide is sourced from PubChem (CID 10992155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).