2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C21H17N3O4 — CID 1291350

IUPAC2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C21H17N3O4/c1-26-15-5-3-6-16(27-2)18(15)20(25)23-14-10-8-13(9-11-14)21-24-19-17(28-21)7-4-12-22-19/h3-12H,1-2H3,(H,23,25)
InChIKeyKMKJOCBSUBEJLY-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.16
Rot. Bonds5

About 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1291350) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1291350
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C21H17N3O4/c1-26-15-5-3-6-16(27-2)18(15)20(25)23-14-10-8-13(9-11-14)21-24-19-17(28-21)7-4-12-22-19/h3-12H,1-2H3,(H,23,25)
InChIKeyKMKJOCBSUBEJLY-UHFFFAOYSA-N
XLogP4.16
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
5-Amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
CID 938537
4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1385138
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 6496984
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 876172
2-fluoro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1490582
N-(2-Methyl-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)-propionamide
CID 718603
N-(2-Methyl-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)-isobutyramide
CID 763827
2-Methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenylamine
CID 774969
2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 3163534

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1291350) is 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is KMKJOCBSUBEJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-26-15-5-3-6-16(27-2)18(15)20(25)23-14-10-8-13(9-11-14)21-24-19-17(28-21)7-4-12-22-19/h3-12H,1-2H3,(H,23,25).
What are the key properties of 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 375.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1291350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).