2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole

C10H8F3NO — CID 116932187

IUPAC2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
SMILESCc1nc2cc(CC(F)(F)F)ccc2o1
InChIInChI=1S/C10H8F3NO/c1-6-14-8-4-7(5-10(11,12)13)2-3-9(8)15-6/h2-4H,5H2,1H3
InChIKeyMTRJEHPFOFSZMP-UHFFFAOYSA-N
MW215.17 g/mol
LogP3.24
Rot. Bonds1

About 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole

2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole (PubChem CID 116932187) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
PubChem CID116932187
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
SMILESCc1nc2cc(CC(F)(F)F)ccc2o1
InChIInChI=1S/C10H8F3NO/c1-6-14-8-4-7(5-10(11,12)13)2-3-9(8)15-6/h2-4H,5H2,1H3
InChIKeyMTRJEHPFOFSZMP-UHFFFAOYSA-N
XLogP3.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116838289
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
CID 143344954
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
CID 115133411
3-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,3-diamine
CID 115200643
N,N-dimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimidamide
CID 58408180
N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
CID 115195341
N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115259635
2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]ethanethiol
CID 115224002
2-(2-methyl-1,3-benzoxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110773886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole (CID 116932187) is 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole is Cc1nc2cc(CC(F)(F)F)ccc2o1.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole?
The InChIKey is MTRJEHPFOFSZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-6-14-8-4-7(5-10(11,12)13)2-3-9(8)15-6/h2-4H,5H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole?
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole has a molecular weight of 215.17 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole is sourced from PubChem (CID 116932187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).