2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

C20H13FN2O2 — CID 718625

IUPAC2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1F
InChIInChI=1S/C20H13FN2O2/c21-16-9-5-4-8-15(16)19(24)22-14-10-11-18-17(12-14)23-20(25-18)13-6-2-1-3-7-13/h1-12H,(H,22,24)
InChIKeyBREJECQOAIYGKD-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.89
Rot. Bonds3

About 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 718625) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID718625
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Name2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1F
InChIInChI=1S/C20H13FN2O2/c21-16-9-5-4-8-15(16)19(24)22-14-10-11-18-17(12-14)23-20(25-18)13-6-2-1-3-7-13/h1-12H,(H,22,24)
InChIKeyBREJECQOAIYGKD-UHFFFAOYSA-N
XLogP4.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 4663208
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
2-fluoro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2281577
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide (CID 718625) is 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is BREJECQOAIYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-16-9-5-4-8-15(16)19(24)22-14-10-11-18-17(12-14)23-20(25-18)13-6-2-1-3-7-13/h1-12H,(H,22,24).
What are the key properties of 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide?
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 332.33 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 718625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).