3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

C17H13ClFN3O2 — CID 702091

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccn1
InChIInChI=1S/C17H13ClFN3O2/c1-10-14(17(23)21-9-11-5-2-3-8-20-11)16(22-24-10)15-12(18)6-4-7-13(15)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyOCTMCARSHRCCNV-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.77
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 702091) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID702091
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccn1
InChIInChI=1S/C17H13ClFN3O2/c1-10-14(17(23)21-9-11-5-2-3-8-20-11)16(22-24-10)15-12(18)6-4-7-13(15)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyOCTMCARSHRCCNV-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 702091) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccn1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is OCTMCARSHRCCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-10-14(17(23)21-9-11-5-2-3-8-20-11)16(22-24-10)15-12(18)6-4-7-13(15)19/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 345.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 702091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).