N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide

C19H12ClN3O2 — CID 50811080

IUPACN-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide
SMILESO=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H12ClN3O2/c20-14-5-3-4-12(8-14)18(24)22-15-9-13(10-21-11-15)19-23-16-6-1-2-7-17(16)25-19/h1-11H,(H,22,24)
InChIKeyXLKTXHXOHRIXPX-UHFFFAOYSA-N
MW349.78 g/mol
LogP4.80
Rot. Bonds3

About N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide

N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide (PubChem CID 50811080) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide
PubChem CID50811080
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide
SMILESO=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H12ClN3O2/c20-14-5-3-4-12(8-14)18(24)22-15-9-13(10-21-11-15)19-23-16-6-1-2-7-17(16)25-19/h1-11H,(H,22,24)
InChIKeyXLKTXHXOHRIXPX-UHFFFAOYSA-N
XLogP4.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[4-(1,3-benzoxazol-2-yl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]-3-chlorobenzamide
CID 21168101
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 7565654
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
CID 2984861
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide
CID 7596290
3-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 1496927

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide (CID 50811080) is N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide is O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide?
The InChIKey is XLKTXHXOHRIXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-14-5-3-4-12(8-14)18(24)22-15-9-13(10-21-11-15)19-23-16-6-1-2-7-17(16)25-19/h1-11H,(H,22,24).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide?
N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide has a molecular weight of 349.78 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide is sourced from PubChem (CID 50811080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).