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

C21H15FN2O2 — CID 801337

IUPACN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H15FN2O2/c1-13-4-2-3-5-17(13)20(25)23-16-10-11-19-18(12-16)24-21(26-19)14-6-8-15(22)9-7-14/h2-12H,1H3,(H,23,25)
InChIKeyPQTJSSOEZIMJKM-UHFFFAOYSA-N
MW346.36 g/mol
LogP5.19
Rot. Bonds3

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

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide (PubChem CID 801337) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
PubChem CID801337
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H15FN2O2/c1-13-4-2-3-5-17(13)20(25)23-16-10-11-19-18(12-16)24-21(26-19)14-6-8-15(22)9-7-14/h2-12H,1H3,(H,23,25)
InChIKeyPQTJSSOEZIMJKM-UHFFFAOYSA-N
XLogP5.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 17101713
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5229080
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 1397326
2-bromo-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 21209235
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 2840256

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide (CID 801337) is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide?
The InChIKey is PQTJSSOEZIMJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c1-13-4-2-3-5-17(13)20(25)23-16-10-11-19-18(12-16)24-21(26-19)14-6-8-15(22)9-7-14/h2-12H,1H3,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide?
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide has a molecular weight of 346.36 g/mol, XLogP of 5.19, 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]-2-methylbenzamide is sourced from PubChem (CID 801337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).