3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide

C21H18ClN3O2 — CID 3243186

IUPAC3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C21H18ClN3O2/c1-14-19(20(24-27-14)16-7-3-4-8-17(16)22)21(26)23-11-13-25-12-10-15-6-2-5-9-18(15)25/h2-10,12H,11,13H2,1H3,(H,23,26)
InChIKeyCEOJURFNPLUAIB-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.69
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3243186) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3243186
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C21H18ClN3O2/c1-14-19(20(24-27-14)16-7-3-4-8-17(16)22)21(26)23-11-13-25-12-10-15-6-2-5-9-18(15)25/h2-10,12H,11,13H2,1H3,(H,23,26)
InChIKeyCEOJURFNPLUAIB-UHFFFAOYSA-N
XLogP4.69
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 3243186) is 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc2ccccc21.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CEOJURFNPLUAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-19(20(24-27-14)16-7-3-4-8-17(16)22)21(26)23-11-13-25-12-10-15-6-2-5-9-18(15)25/h2-10,12H,11,13H2,1H3,(H,23,26).
What are the key properties of 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-indol-1-ylethyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3243186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).