5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole

C9H5ClF3NO — CID 82231721

IUPAC5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1nc2cc(Cl)cc(C(F)(F)F)c2o1
InChIInChI=1S/C9H5ClF3NO/c1-4-14-7-3-5(10)2-6(8(7)15-4)9(11,12)13/h2-3H,1H3
InChIKeyZVEAAIPHWAUMAJ-UHFFFAOYSA-N
MW235.59 g/mol
LogP3.81
Rot. Bonds

About 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole

5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 82231721) has the molecular formula C9H5ClF3NO and a molecular weight of 235.59 g/mol. Its IUPAC name is 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole
PubChem CID82231721
Molecular FormulaC9H5ClF3NO
Molecular Weight235.59 g/mol
Exact Mass235.00
IUPAC Name5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1nc2cc(Cl)cc(C(F)(F)F)c2o1
InChIInChI=1S/C9H5ClF3NO/c1-4-14-7-3-5(10)2-6(8(7)15-4)9(11,12)13/h2-3H,1H3
InChIKeyZVEAAIPHWAUMAJ-UHFFFAOYSA-N
XLogP3.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.59
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole
CID 82233212
2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol
CID 166557811
2-amino-2-(5-chloro-2-methyl-1,3-benzoxazol-7-yl)ethanol
CID 83892709
2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole
CID 166557361
5-chloro-2-methyl-6,7-di(propan-2-yl)-1,3-benzoxazole
CID 176945226
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
(2R)-2-methoxy-N-methyl-N-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
CID 166556957
5,7-dichloro-2-methyl-1,3-benzoxazole;ethyl hydrogen sulfate
CID 88803345
2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline
CID 55175565
5-chloro-7-methyl-1,3-benzoxazol-2-amine
CID 62368889
5-chloro-2-methyl-3-(trifluoromethyl)aniline
CID 130983523
2-(4-amino-2-methylphenyl)-7-(trifluoromethyl)-1,3-benzoxazol-5-amine
CID 163612515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole (CID 82231721) is 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole is Cc1nc2cc(Cl)cc(C(F)(F)F)c2o1.
What is the InChIKey of 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is ZVEAAIPHWAUMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3NO/c1-4-14-7-3-5(10)2-6(8(7)15-4)9(11,12)13/h2-3H,1H3.
What are the key properties of 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole?
5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 235.59 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-7-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 82231721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).