4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen

C21H20N4O2 — CID 143408686

IUPAC4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
SMILESCN(C)c1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1.[H][H]
InChIInChI=1S/C21H18N4O2.H2/c1-25(2)17-8-6-14(7-9-17)20(26)23-16-5-3-4-15(12-16)21-24-18-13-22-11-10-19(18)27-21;/h3-13H,1-2H3,(H,23,26);1H
InChIKeyNFJKPWXNFVFXIU-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.45
Rot. Bonds4

About 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen

4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen (PubChem CID 143408686) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
PubChem CID143408686
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
SMILESCN(C)c1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1.[H][H]
InChIInChI=1S/C21H18N4O2.H2/c1-25(2)17-8-6-14(7-9-17)20(26)23-16-5-3-4-15(12-16)21-24-18-13-22-11-10-19(18)27-21;/h3-13H,1-2H3,(H,23,26);1H
InChIKeyNFJKPWXNFVFXIU-UHFFFAOYSA-N
XLogP4.45
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]benzamide
CID 59680297
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 29130005
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 29139232
4-(dimethylamino)-N-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]benzamide
CID 59680262
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 777133
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
CID 7579240
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 87680363
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 82252612
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen?
The IUPAC name of 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen (CID 143408686) is 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen.
What is the SMILES notation for 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen?
The canonical SMILES for 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen is CN(C)c1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1.[H][H].
What is the InChIKey of 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen?
The InChIKey is NFJKPWXNFVFXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2.H2/c1-25(2)17-8-6-14(7-9-17)20(26)23-16-5-3-4-15(12-16)21-24-18-13-22-11-10-19(18)27-21;/h3-13H,1-2H3,(H,23,26);1H.
What are the key properties of 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen?
4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen has a molecular weight of 360.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen is sourced from PubChem (CID 143408686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).