N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide

C23H15N3O2 — CID 5109367

IUPACN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccnc1
InChIInChI=1S/C23H15N3O2/c27-22(17-7-4-12-24-14-17)25-18-8-3-6-16(13-18)23-26-21-19-9-2-1-5-15(19)10-11-20(21)28-23/h1-14H,(H,25,27)
InChIKeySJGNIOXWUZRHMQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP5.30
Rot. Bonds3

About N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 5109367) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
PubChem CID5109367
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC NameN-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccnc1
InChIInChI=1S/C23H15N3O2/c27-22(17-7-4-12-24-14-17)25-18-8-3-6-16(13-18)23-26-21-19-9-2-1-5-15(19)10-11-20(21)28-23/h1-14H,(H,25,27)
InChIKeySJGNIOXWUZRHMQ-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-chlorobenzamide
CID 40619533
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2,5-dichlorobenzamide
CID 39380118
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 5038968
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 4972613
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 39380434
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-chloro-5-nitrobenzamide
CID 39380150
N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-2-bromobenzamide
CID 4566084

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide (CID 5109367) is N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide is O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccnc1.
What is the InChIKey of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is SJGNIOXWUZRHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2/c27-22(17-7-4-12-24-14-17)25-18-8-3-6-16(13-18)23-26-21-19-9-2-1-5-15(19)10-11-20(21)28-23/h1-14H,(H,25,27).
What are the key properties of N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide?
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 5109367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).