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

C21H18N4O2 — CID 44591511

IUPAC3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1
InChIInChI=1S/C21H18N4O2/c1-25(2)17-6-3-5-15(13-17)20(26)23-16-10-8-14(9-11-16)21-24-19-18(27-21)7-4-12-22-19/h3-13H,1-2H3,(H,23,26)
InChIKeyCDOVSMNDRWHJOO-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.21
Rot. Bonds4

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

3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 44591511) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID44591511
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1
InChIInChI=1S/C21H18N4O2/c1-25(2)17-6-3-5-15(13-17)20(26)23-16-10-8-14(9-11-16)21-24-19-18(27-21)7-4-12-22-19/h3-13H,1-2H3,(H,23,26)
InChIKeyCDOVSMNDRWHJOO-UHFFFAOYSA-N
XLogP4.21
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 44591511) is 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is CN(C)c1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is CDOVSMNDRWHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-25(2)17-6-3-5-15(13-17)20(26)23-16-10-8-14(9-11-16)21-24-19-18(27-21)7-4-12-22-19/h3-13H,1-2H3,(H,23,26).
What are the key properties of 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 44591511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).