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

C20H19F3N2O3 — CID 11988399

IUPAC4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2noc3cccc(OCC(F)(F)F)c23)cc1
InChIInChI=1S/C20H19F3N2O3/c1-19(2,3)13-9-7-12(8-10-13)18(26)24-17-16-14(27-11-20(21,22)23)5-4-6-15(16)28-25-17/h4-10H,11H2,1-3H3,(H,24,25,26)
InChIKeyFTVUKKOLLTXDRN-UHFFFAOYSA-N
MW392.38 g/mol
LogP5.32
Rot. Bonds4

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

4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (PubChem CID 11988399) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
PubChem CID11988399
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2noc3cccc(OCC(F)(F)F)c23)cc1
InChIInChI=1S/C20H19F3N2O3/c1-19(2,3)13-9-7-12(8-10-13)18(26)24-17-16-14(27-11-20(21,22)23)5-4-6-15(16)28-25-17/h4-10H,11H2,1-3H3,(H,24,25,26)
InChIKeyFTVUKKOLLTXDRN-UHFFFAOYSA-N
XLogP5.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide (CID 11988399) is 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2noc3cccc(OCC(F)(F)F)c23)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
The InChIKey is FTVUKKOLLTXDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-19(2,3)13-9-7-12(8-10-13)18(26)24-17-16-14(27-11-20(21,22)23)5-4-6-15(16)28-25-17/h4-10H,11H2,1-3H3,(H,24,25,26).
What are the key properties of 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide?
4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]benzamide is sourced from PubChem (CID 11988399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).