2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide

C10H7F3N2O2 — CID 1473012

IUPAC2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)C(F)(F)F)cc2o1
InChIInChI=1S/C10H7F3N2O2/c1-5-14-7-3-2-6(4-8(7)17-5)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyFLIQZGVSOUVTHP-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.64
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide

2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide (PubChem CID 1473012) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
PubChem CID1473012
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)C(F)(F)F)cc2o1
InChIInChI=1S/C10H7F3N2O2/c1-5-14-7-3-2-6(4-8(7)17-5)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyFLIQZGVSOUVTHP-UHFFFAOYSA-N
XLogP2.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylbenzoxazole
CID 7225
L 696229
CID 72352
Benzoxazole, 2-ethyl-
CID 23239
1,3-Benzoxazole-2-carbonitrile
CID 11147793
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
Acetamide, n-(2-methyl-5-benzoxazolyl)-
CID 275495
2-(4-Aminophenyl)-1,3-benzoxazol-6-amine
CID 542899
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 2824070
2-Ethynyl-1,3-benzoxazole
CID 22618257
2-(1,3-Benzoxazol-2-yl)acetonitrile
CID 843325
5-Fluoro-2-methylbenzoxazole
CID 2769350
2(1H)-Pyridinone, 5-ethyl-3-(((5-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454409

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide (CID 1473012) is 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)C(F)(F)F)cc2o1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is FLIQZGVSOUVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-5-14-7-3-2-6(4-8(7)17-5)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 244.17 g/mol, XLogP of 2.64, 1 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-methyl-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 1473012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).