2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

C20H12F2N2O2 — CID 2244594

IUPAC2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1F
InChIInChI=1S/C20H12F2N2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25)
InChIKeyKVMZJXZKTAAATN-UHFFFAOYSA-N
MW350.32 g/mol
LogP5.03
Rot. Bonds3

About 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 2244594) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID2244594
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1F
InChIInChI=1S/C20H12F2N2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25)
InChIKeyKVMZJXZKTAAATN-UHFFFAOYSA-N
XLogP5.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide
CID 46495888
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3237758
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylbenzamide
CID 1009733

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 2244594) is 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is KVMZJXZKTAAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25).
What are the key properties of 2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 350.32 g/mol, XLogP of 5.03, 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-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 2244594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).