2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

C19H18ClN3O2 — CID 138465131

IUPAC2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(-c2cc(CNC(=O)c3cccnc3Cl)on2)c(C)c1
InChIInChI=1S/C19H18ClN3O2/c1-11-7-12(2)17(13(3)8-11)16-9-14(25-23-16)10-22-19(24)15-5-4-6-21-18(15)20/h4-9H,10H2,1-3H3,(H,22,24)
InChIKeyZBUMJBKLERIFDY-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.25
Rot. Bonds4

About 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 138465131) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID138465131
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(-c2cc(CNC(=O)c3cccnc3Cl)on2)c(C)c1
InChIInChI=1S/C19H18ClN3O2/c1-11-7-12(2)17(13(3)8-11)16-9-14(25-23-16)10-22-19(24)15-5-4-6-21-18(15)20/h4-9H,10H2,1-3H3,(H,22,24)
InChIKeyZBUMJBKLERIFDY-UHFFFAOYSA-N
XLogP4.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (CID 138465131) is 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is Cc1cc(C)c(-c2cc(CNC(=O)c3cccnc3Cl)on2)c(C)c1.
What is the InChIKey of 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is ZBUMJBKLERIFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-11-7-12(2)17(13(3)8-11)16-9-14(25-23-16)10-22-19(24)15-5-4-6-21-18(15)20/h4-9H,10H2,1-3H3,(H,22,24).
What are the key properties of 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 138465131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).