3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide

C15H10F2N2O3 — CID 11988403

IUPAC3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
SMILESCOc1cccc2onc(NC(=O)c3cc(F)cc(F)c3)c12
InChIInChI=1S/C15H10F2N2O3/c1-21-11-3-2-4-12-13(11)14(19-22-12)18-15(20)8-5-9(16)7-10(17)6-8/h2-7H,1H3,(H,18,19,20)
InChIKeyIOXKPXXTCRBTNT-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.37
Rot. Bonds3

About 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide

3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide (PubChem CID 11988403) has the molecular formula C15H10F2N2O3 and a molecular weight of 304.25 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
PubChem CID11988403
Molecular FormulaC15H10F2N2O3
Molecular Weight304.25 g/mol
Exact Mass304.07
IUPAC Name3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
SMILESCOc1cccc2onc(NC(=O)c3cc(F)cc(F)c3)c12
InChIInChI=1S/C15H10F2N2O3/c1-21-11-3-2-4-12-13(11)14(19-22-12)18-15(20)8-5-9(16)7-10(17)6-8/h2-7H,1H3,(H,18,19,20)
InChIKeyIOXKPXXTCRBTNT-UHFFFAOYSA-N
XLogP3.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide (CID 11988403) is 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide is COc1cccc2onc(NC(=O)c3cc(F)cc(F)c3)c12.
What is the InChIKey of 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide?
The InChIKey is IOXKPXXTCRBTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3/c1-21-11-3-2-4-12-13(11)14(19-22-12)18-15(20)8-5-9(16)7-10(17)6-8/h2-7H,1H3,(H,18,19,20).
What are the key properties of 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide?
3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide has a molecular weight of 304.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 11988403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).