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

C16H10ClF3N2O3 — CID 11988400

IUPAC3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESO=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2O3/c17-10-4-1-3-9(7-10)15(23)21-14-13-11(24-8-16(18,19)20)5-2-6-12(13)25-22-14/h1-7H,8H2,(H,21,22,23)
InChIKeyHZNNPGBPZRSEFP-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.67
Rot. Bonds4

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

3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (PubChem CID 11988400) has the molecular formula C16H10ClF3N2O3 and a molecular weight of 370.71 g/mol. Its IUPAC name is 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
PubChem CID11988400
Molecular FormulaC16H10ClF3N2O3
Molecular Weight370.71 g/mol
Exact Mass370.03
IUPAC Name3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESO=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2O3/c17-10-4-1-3-9(7-10)15(23)21-14-13-11(24-8-16(18,19)20)5-2-6-12(13)25-22-14/h1-7H,8H2,(H,21,22,23)
InChIKeyHZNNPGBPZRSEFP-UHFFFAOYSA-N
XLogP4.67
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (CID 11988400) is 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is O=C(Nc1noc2cccc(OCC(F)(F)F)c12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The InChIKey is HZNNPGBPZRSEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O3/c17-10-4-1-3-9(7-10)15(23)21-14-13-11(24-8-16(18,19)20)5-2-6-12(13)25-22-14/h1-7H,8H2,(H,21,22,23).
What are the key properties of 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide has a molecular weight of 370.71 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is sourced from PubChem (CID 11988400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).