N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide

C27H21N3O2 — CID 177401902

IUPACN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccc1C1=NCCO1)c1ccc(-c2ccccn2)cc1-c1ccccc1
InChIInChI=1S/C27H21N3O2/c31-26(30-25-12-5-4-10-22(25)27-29-16-17-32-27)21-14-13-20(24-11-6-7-15-28-24)18-23(21)19-8-2-1-3-9-19/h1-15,18H,16-17H2,(H,30,31)
InChIKeyLFANXLOJUCHGLO-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.44
Rot. Bonds5

About N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide

N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide (PubChem CID 177401902) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide
PubChem CID177401902
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC NameN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccc1C1=NCCO1)c1ccc(-c2ccccn2)cc1-c1ccccc1
InChIInChI=1S/C27H21N3O2/c31-26(30-25-12-5-4-10-22(25)27-29-16-17-32-27)21-14-13-20(24-11-6-7-15-28-24)18-23(21)19-8-2-1-3-9-19/h1-15,18H,16-17H2,(H,30,31)
InChIKeyLFANXLOJUCHGLO-UHFFFAOYSA-N
XLogP5.44
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide (CID 177401902) is N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide is O=C(Nc1ccccc1C1=NCCO1)c1ccc(-c2ccccn2)cc1-c1ccccc1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide?
The InChIKey is LFANXLOJUCHGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c31-26(30-25-12-5-4-10-22(25)27-29-16-17-32-27)21-14-13-20(24-11-6-7-15-28-24)18-23(21)19-8-2-1-3-9-19/h1-15,18H,16-17H2,(H,30,31).
What are the key properties of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide?
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide has a molecular weight of 419.48 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 177401902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).