2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C22H19N3O2 — CID 1291502

IUPAC2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(C)c1
InChIInChI=1S/C22H19N3O2/c1-13-6-9-17(15(3)11-13)21(26)24-18-12-16(8-7-14(18)2)22-25-20-19(27-22)5-4-10-23-20/h4-12H,1-3H3,(H,24,26)
InChIKeyGRKHULXNYXULGQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.07
Rot. Bonds3

About 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1291502) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1291502
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(C)c1
InChIInChI=1S/C22H19N3O2/c1-13-6-9-17(15(3)11-13)21(26)24-18-12-16(8-7-14(18)2)22-25-20-19(27-22)5-4-10-23-20/h4-12H,1-3H3,(H,24,26)
InChIKeyGRKHULXNYXULGQ-UHFFFAOYSA-N
XLogP5.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1291502) is 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is GRKHULXNYXULGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-6-9-17(15(3)11-13)21(26)24-18-12-16(8-7-14(18)2)22-25-20-19(27-22)5-4-10-23-20/h4-12H,1-3H3,(H,24,26).
What are the key properties of 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1291502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).