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

C21H17N3O3 — CID 1276008

IUPAC4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1
InChIInChI=1S/C21H17N3O3/c1-13-16(21-24-19-18(27-21)7-4-12-22-19)5-3-6-17(13)23-20(25)14-8-10-15(26-2)11-9-14/h3-12H,1-2H3,(H,23,25)
InChIKeyLWMIWRFUPWXHJV-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.46
Rot. Bonds4

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

4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1276008) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1276008
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1
InChIInChI=1S/C21H17N3O3/c1-13-16(21-24-19-18(27-21)7-4-12-22-19)5-3-6-17(13)23-20(25)14-8-10-15(26-2)11-9-14/h3-12H,1-2H3,(H,23,25)
InChIKeyLWMIWRFUPWXHJV-UHFFFAOYSA-N
XLogP4.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1276008) is 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is LWMIWRFUPWXHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13-16(21-24-19-18(27-21)7-4-12-22-19)5-3-6-17(13)23-20(25)14-8-10-15(26-2)11-9-14/h3-12H,1-2H3,(H,23,25).
What are the key properties of 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1276008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).