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

C19H13N3O3 — CID 44596986

IUPAC2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13N3O3/c23-18(15-9-21-16-7-2-1-6-14(15)16)19(24)22-13-5-3-4-12(8-13)17-10-20-11-25-17/h1-11,21H,(H,22,24)
InChIKeyKWMKKFDVRFNOOL-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.64
Rot. Bonds4

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

2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide (PubChem CID 44596986) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
PubChem CID44596986
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13N3O3/c23-18(15-9-21-16-7-2-1-6-14(15)16)19(24)22-13-5-3-4-12(8-13)17-10-20-11-25-17/h1-11,21H,(H,22,24)
InChIKeyKWMKKFDVRFNOOL-UHFFFAOYSA-N
XLogP3.64
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide (CID 44596986) is 2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide is O=C(Nc1cccc(-c2cnco2)c1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide?
The InChIKey is KWMKKFDVRFNOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-18(15-9-21-16-7-2-1-6-14(15)16)19(24)22-13-5-3-4-12(8-13)17-10-20-11-25-17/h1-11,21H,(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide has a molecular weight of 331.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 44596986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).