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

C21H17N3O3 — CID 17336615

IUPAC3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1
InChIInChI=1S/C21H17N3O3/c1-26-17-5-2-4-16(12-17)20(25)23-13-14-7-9-15(10-8-14)21-24-19-18(27-21)6-3-11-22-19/h2-12H,13H2,1H3,(H,23,25)
InChIKeyRGIXPTRINYCNIC-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.83
Rot. Bonds5

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

3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide (PubChem CID 17336615) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
PubChem CID17336615
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1
InChIInChI=1S/C21H17N3O3/c1-26-17-5-2-4-16(12-17)20(25)23-13-14-7-9-15(10-8-14)21-24-19-18(27-21)6-3-11-22-19/h2-12H,13H2,1H3,(H,23,25)
InChIKeyRGIXPTRINYCNIC-UHFFFAOYSA-N
XLogP3.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide
CID 6462401
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
3-butoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methylcarbamothioyl]benzamide
CID 17336401
2,3,5,6-tetrafluoro-4-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336686
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 17336612
3-bromo-4-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methylcarbamothioyl]benzamide
CID 17336385
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
5-bromo-2-methoxy-3-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methylcarbamothioyl]benzamide
CID 17336503
2-chloro-5-iodo-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336639
3,5-dimethoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1207670

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide (CID 17336615) is 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide is COc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide?
The InChIKey is RGIXPTRINYCNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-26-17-5-2-4-16(12-17)20(25)23-13-14-7-9-15(10-8-14)21-24-19-18(27-21)6-3-11-22-19/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide?
3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 17336615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).