2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide

C16H10F4N2O2 — CID 91676679

IUPAC2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccccc3F)oc12
InChIInChI=1S/C16H10F4N2O2/c1-8-6-9(21-15(23)16(18,19)20)7-12-13(8)24-14(22-12)10-4-2-3-5-11(10)17/h2-7H,1H3,(H,21,23)
InChIKeyMVQVDZCSDKYGLR-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.44
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide

2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide (PubChem CID 91676679) has the molecular formula C16H10F4N2O2 and a molecular weight of 338.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
PubChem CID91676679
Molecular FormulaC16H10F4N2O2
Molecular Weight338.26 g/mol
Exact Mass338.07
IUPAC Name2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccccc3F)oc12
InChIInChI=1S/C16H10F4N2O2/c1-8-6-9(21-15(23)16(18,19)20)7-12-13(8)24-14(22-12)10-4-2-3-5-11(10)17/h2-7H,1H3,(H,21,23)
InChIKeyMVQVDZCSDKYGLR-UHFFFAOYSA-N
XLogP4.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide (CID 91676679) is 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide is Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccccc3F)oc12.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is MVQVDZCSDKYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2/c1-8-6-9(21-15(23)16(18,19)20)7-12-13(8)24-14(22-12)10-4-2-3-5-11(10)17/h2-7H,1H3,(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide?
2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 338.26 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 91676679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).