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

C21H17N3O2 — CID 923699

IUPAC3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1
InChIInChI=1S/C21H17N3O2/c1-13-10-14(2)12-16(11-13)20(25)23-17-7-5-15(6-8-17)21-24-19-18(26-21)4-3-9-22-19/h3-12H,1-2H3,(H,23,25)
InChIKeyCXMKVWAMUVNLAZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.76
Rot. Bonds3

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

3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 923699) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID923699
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1
InChIInChI=1S/C21H17N3O2/c1-13-10-14(2)12-16(11-13)20(25)23-17-7-5-15(6-8-17)21-24-19-18(26-21)4-3-9-22-19/h3-12H,1-2H3,(H,23,25)
InChIKeyCXMKVWAMUVNLAZ-UHFFFAOYSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 923699) is 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is CXMKVWAMUVNLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-10-14(2)12-16(11-13)20(25)23-17-7-5-15(6-8-17)21-24-19-18(26-21)4-3-9-22-19/h3-12H,1-2H3,(H,23,25).
What are the key properties of 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 343.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 923699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).