3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide

C16H9F5N2O3 — CID 11988664

IUPAC3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESO=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1ccc(F)c(F)c1
InChIInChI=1S/C16H9F5N2O3/c17-9-5-4-8(6-10(9)18)15(24)22-14-13-11(25-7-16(19,20)21)2-1-3-12(13)26-23-14/h1-6H,7H2,(H,22,23,24)
InChIKeyBDLKQTNABNWDER-UHFFFAOYSA-N
MW372.25 g/mol
LogP4.30
Rot. Bonds4

About 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide

3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (PubChem CID 11988664) has the molecular formula C16H9F5N2O3 and a molecular weight of 372.25 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
PubChem CID11988664
Molecular FormulaC16H9F5N2O3
Molecular Weight372.25 g/mol
Exact Mass372.05
IUPAC Name3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESO=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1ccc(F)c(F)c1
InChIInChI=1S/C16H9F5N2O3/c17-9-5-4-8(6-10(9)18)15(24)22-14-13-11(25-7-16(19,20)21)2-1-3-12(13)26-23-14/h1-6H,7H2,(H,22,23,24)
InChIKeyBDLKQTNABNWDER-UHFFFAOYSA-N
XLogP4.30
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (CID 11988664) is 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is O=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The InChIKey is BDLKQTNABNWDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N2O3/c17-9-5-4-8(6-10(9)18)15(24)22-14-13-11(25-7-16(19,20)21)2-1-3-12(13)26-23-14/h1-6H,7H2,(H,22,23,24).
What are the key properties of 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide has a molecular weight of 372.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is sourced from PubChem (CID 11988664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).