4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide

C21H15FN2O3 — CID 10021522

IUPAC4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide
SMILESCOc1ccc(-c2ccccc2)c2oc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C21H15FN2O3/c1-26-17-12-11-16(13-5-3-2-4-6-13)19-18(17)23-21(27-19)24-20(25)14-7-9-15(22)10-8-14/h2-12H,1H3,(H,23,24,25)
InChIKeyRAYZUSLRSFQIHQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.89
Rot. Bonds4

About 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide

4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide (PubChem CID 10021522) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide
PubChem CID10021522
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide
SMILESCOc1ccc(-c2ccccc2)c2oc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C21H15FN2O3/c1-26-17-12-11-16(13-5-3-2-4-6-13)19-18(17)23-21(27-19)24-20(25)14-7-9-15(22)10-8-14/h2-12H,1H3,(H,23,24,25)
InChIKeyRAYZUSLRSFQIHQ-UHFFFAOYSA-N
XLogP4.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide (CID 10021522) is 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide is COc1ccc(-c2ccccc2)c2oc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide?
The InChIKey is RAYZUSLRSFQIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c1-26-17-12-11-16(13-5-3-2-4-6-13)19-18(17)23-21(27-19)24-20(25)14-7-9-15(22)10-8-14/h2-12H,1H3,(H,23,24,25).
What are the key properties of 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide?
4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide has a molecular weight of 362.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methoxy-7-phenyl-1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 10021522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).