N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide

C22H17FN2O4 — CID 19630286

IUPACN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C22H17FN2O4/c1-27-18-8-5-9-19(28-2)20(18)21(26)24-13-10-11-17-16(12-13)25-22(29-17)14-6-3-4-7-15(14)23/h3-12H,1-2H3,(H,24,26)
InChIKeyXORNFGLCTMHFGS-UHFFFAOYSA-N
MW392.39 g/mol
LogP4.90
Rot. Bonds5

About N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide (PubChem CID 19630286) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
PubChem CID19630286
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C22H17FN2O4/c1-27-18-8-5-9-19(28-2)20(18)21(26)24-13-10-11-17-16(12-13)25-22(29-17)14-6-3-4-7-15(14)23/h3-12H,1-2H3,(H,24,26)
InChIKeyXORNFGLCTMHFGS-UHFFFAOYSA-N
XLogP4.90
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
CID 23987691
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
2,3,4,5,6-pentafluoro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4105266
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5346346
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,5-diiodobenzamide
CID 46495888
N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylbenzamide
CID 1009733
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 4208368

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide (CID 19630286) is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide?
The InChIKey is XORNFGLCTMHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c1-27-18-8-5-9-19(28-2)20(18)21(26)24-13-10-11-17-16(12-13)25-22(29-17)14-6-3-4-7-15(14)23/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide?
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide has a molecular weight of 392.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 19630286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).