2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

C25H16ClN3O2 — CID 4663208

IUPAC2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccnc1Cl
InChIInChI=1S/C25H16ClN3O2/c26-23-20(7-4-14-27-23)24(30)28-19-12-13-22-21(15-19)29-25(31-22)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-15H,(H,28,30)
InChIKeyXDLCJWNQXYEZJS-UHFFFAOYSA-N
MW425.88 g/mol
LogP6.46
Rot. Bonds4

About 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (PubChem CID 4663208) has the molecular formula C25H16ClN3O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
PubChem CID4663208
Molecular FormulaC25H16ClN3O2
Molecular Weight425.88 g/mol
Exact Mass425.09
IUPAC Name2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccnc1Cl
InChIInChI=1S/C25H16ClN3O2/c26-23-20(7-4-14-27-23)24(30)28-19-12-13-22-21(15-19)29-25(31-22)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-15H,(H,28,30)
InChIKeyXDLCJWNQXYEZJS-UHFFFAOYSA-N
XLogP6.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
3,5-dichloro-2-methoxy-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17117163
2-chloro-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 16740413
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 4258037
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 22777282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (CID 4663208) is 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The InChIKey is XDLCJWNQXYEZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O2/c26-23-20(7-4-14-27-23)24(30)28-19-12-13-22-21(15-19)29-25(31-22)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-15H,(H,28,30).
What are the key properties of 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide has a molecular weight of 425.88 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 4663208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).