3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H16ClN3O2 — CID 741178

IUPAC3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
InChIInChI=1S/C18H16ClN3O2/c1-10-8-11(2)20-15(9-10)21-18(23)16-12(3)24-22-17(16)13-6-4-5-7-14(13)19/h4-9H,1-3H3,(H,20,21,23)
InChIKeyHUAYQTCZKZHGAC-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.57
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 741178) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID741178
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
InChIInChI=1S/C18H16ClN3O2/c1-10-8-11(2)20-15(9-10)21-18(23)16-12(3)24-22-17(16)13-6-4-5-7-14(13)19/h4-9H,1-3H3,(H,20,21,23)
InChIKeyHUAYQTCZKZHGAC-UHFFFAOYSA-N
XLogP4.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.57
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-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 741178) is 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HUAYQTCZKZHGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-10-8-11(2)20-15(9-10)21-18(23)16-12(3)24-22-17(16)13-6-4-5-7-14(13)19/h4-9H,1-3H3,(H,20,21,23).
What are the key properties of 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 741178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).