3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide

C22H20ClN3O2 — CID 4230873

IUPAC3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCn1c(C)cc2ccccc21
InChIInChI=1S/C22H20ClN3O2/c1-14-13-16-7-3-6-10-19(16)26(14)12-11-24-22(27)20-15(2)28-25-21(20)17-8-4-5-9-18(17)23/h3-10,13H,11-12H2,1-2H3,(H,24,27)
InChIKeyLPCZGNMLRKLOFA-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.00
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 4230873) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID4230873
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCCn1c(C)cc2ccccc21
InChIInChI=1S/C22H20ClN3O2/c1-14-13-16-7-3-6-10-19(16)26(14)12-11-24-22(27)20-15(2)28-25-21(20)17-8-4-5-9-18(17)23/h3-10,13H,11-12H2,1-2H3,(H,24,27)
InChIKeyLPCZGNMLRKLOFA-UHFFFAOYSA-N
XLogP5.00
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 4230873) is 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1c(C)cc2ccccc21.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is LPCZGNMLRKLOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-14-13-16-7-3-6-10-19(16)26(14)12-11-24-22(27)20-15(2)28-25-21(20)17-8-4-5-9-18(17)23/h3-10,13H,11-12H2,1-2H3,(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4230873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).