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

C17H14ClN3O2 — CID 798822

IUPAC3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
InChIInChI=1S/C17H14ClN3O2/c1-10-7-8-19-14(9-10)20-17(22)15-11(2)23-21-16(15)12-5-3-4-6-13(12)18/h3-9H,1-2H3,(H,19,20,22)
InChIKeyTURJTHAFRWQHSB-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.26
Rot. Bonds3

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

3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide (PubChem CID 798822) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide
PubChem CID798822
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
InChIInChI=1S/C17H14ClN3O2/c1-10-7-8-19-14(9-10)20-17(22)15-11(2)23-21-16(15)12-5-3-4-6-13(12)18/h3-9H,1-2H3,(H,19,20,22)
InChIKeyTURJTHAFRWQHSB-UHFFFAOYSA-N
XLogP4.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.26
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-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide (CID 798822) is 3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide is Cc1ccnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The InChIKey is TURJTHAFRWQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-10-7-8-19-14(9-10)20-17(22)15-11(2)23-21-16(15)12-5-3-4-6-13(12)18/h3-9H,1-2H3,(H,19,20,22).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 4.26, 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-(4-methyl-2-pyridinyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 798822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).