3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide

C20H14ClN3O2 — CID 1119204

IUPAC3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H14ClN3O2/c1-12-17(19(24-26-12)14-8-2-3-9-15(14)21)20(25)23-16-10-4-6-13-7-5-11-22-18(13)16/h2-11H,1H3,(H,23,25)
InChIKeyJMQGEQWKAAJVEZ-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.10
Rot. Bonds3

About 3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide (PubChem CID 1119204) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide
PubChem CID1119204
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H14ClN3O2/c1-12-17(19(24-26-12)14-8-2-3-9-15(14)21)20(25)23-16-10-4-6-13-7-5-11-22-18(13)16/h2-11H,1H3,(H,23,25)
InChIKeyJMQGEQWKAAJVEZ-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.10
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-quinolin-8-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide (CID 1119204) is 3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide?
The InChIKey is JMQGEQWKAAJVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-17(19(24-26-12)14-8-2-3-9-15(14)21)20(25)23-16-10-4-6-13-7-5-11-22-18(13)16/h2-11H,1H3,(H,23,25).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-quinolin-8-yl-1,2-oxazole-4-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 5.10, 3 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-quinolin-8-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1119204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).