2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide

C20H14ClN3O3 — CID 10156594

IUPAC2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccon1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C20H14ClN3O3/c21-14-7-5-13(6-8-14)11-24-12-16(15-3-1-2-4-17(15)24)19(25)20(26)22-18-9-10-27-23-18/h1-10,12H,11H2,(H,22,23,26)
InChIKeyMMNAKZNYDMNNBI-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.15
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 10156594) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID10156594
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccon1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C20H14ClN3O3/c21-14-7-5-13(6-8-14)11-24-12-16(15-3-1-2-4-17(15)24)19(25)20(26)22-18-9-10-27-23-18/h1-10,12H,11H2,(H,22,23,26)
InChIKeyMMNAKZNYDMNNBI-UHFFFAOYSA-N
XLogP4.15
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide (CID 10156594) is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide is O=C(Nc1ccon1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is MMNAKZNYDMNNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-14-7-5-13(6-8-14)11-24-12-16(15-3-1-2-4-17(15)24)19(25)20(26)22-18-9-10-27-23-18/h1-10,12H,11H2,(H,22,23,26).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide?
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 379.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10156594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).