N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

C20H13FN2O2 — CID 746929

IUPACN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1
InChIInChI=1S/C20H13FN2O2/c21-15-8-6-14(7-9-15)20-23-17-12-16(10-11-18(17)25-20)22-19(24)13-4-2-1-3-5-13/h1-12H,(H,22,24)
InChIKeyVKKNZIIVEAHBOG-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.89
Rot. Bonds3

About N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 746929) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID746929
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1
InChIInChI=1S/C20H13FN2O2/c21-15-8-6-14(7-9-15)20-23-17-12-16(10-11-18(17)25-20)22-19(24)13-4-2-1-3-5-13/h1-12H,(H,22,24)
InChIKeyVKKNZIIVEAHBOG-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

N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-fluorobenzamide
CID 1338265
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
CID 1205346
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3460045
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
CID 2984861
4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 746929) is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is VKKNZIIVEAHBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-15-8-6-14(7-9-15)20-23-17-12-16(10-11-18(17)25-20)22-19(24)13-4-2-1-3-5-13/h1-12H,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide?
N-[2-(4-fluorophenyl)-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 N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 746929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).