N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide

C25H17N3O2 — CID 29130005

IUPACN-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H17N3O2/c29-24(19-11-9-18(10-12-19)17-5-2-1-3-6-17)27-21-8-4-7-20(15-21)25-28-22-16-26-14-13-23(22)30-25/h1-16H,(H,27,29)
InChIKeyYVXSWMNUXLEPOS-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.81
Rot. Bonds4

About N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide

N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide (PubChem CID 29130005) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
PubChem CID29130005
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC NameN-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H17N3O2/c29-24(19-11-9-18(10-12-19)17-5-2-1-3-6-17)27-21-8-4-7-20(15-21)25-28-22-16-26-14-13-23(22)30-25/h1-16H,(H,27,29)
InChIKeyYVXSWMNUXLEPOS-UHFFFAOYSA-N
XLogP5.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
CID 143408686
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 29139232
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
4-(dimethylamino)-N-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)phenyl]benzamide
CID 59680297
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
CID 7579240
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 41148596
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 777133
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide (CID 29130005) is N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide is O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide?
The InChIKey is YVXSWMNUXLEPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-24(19-11-9-18(10-12-19)17-5-2-1-3-6-17)27-21-8-4-7-20(15-21)25-28-22-16-26-14-13-23(22)30-25/h1-16H,(H,27,29).
What are the key properties of N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide?
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide has a molecular weight of 391.43 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 29130005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).