4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane

C17H15ClF3NO — CID 145013765

IUPAC4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane
SMILESCC.Cc1cc(Cl)c2nc(-c3ccc(C(F)(F)F)cc3)oc2c1
InChIInChI=1S/C15H9ClF3NO.C2H6/c1-8-6-11(16)13-12(7-8)21-14(20-13)9-2-4-10(5-3-9)15(17,18)19;1-2/h2-7H,1H3;1-2H3
InChIKeyOMMCKOXJNDHESN-UHFFFAOYSA-N
MW341.76 g/mol
LogP6.50
Rot. Bonds1

About 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane

4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane (PubChem CID 145013765) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane
PubChem CID145013765
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC Name4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane
SMILESCC.Cc1cc(Cl)c2nc(-c3ccc(C(F)(F)F)cc3)oc2c1
InChIInChI=1S/C15H9ClF3NO.C2H6/c1-8-6-11(16)13-12(7-8)21-14(20-13)9-2-4-10(5-3-9)15(17,18)19;1-2/h2-7H,1H3;1-2H3
InChIKeyOMMCKOXJNDHESN-UHFFFAOYSA-N
XLogP6.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.76
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-7-[2-[4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 170372832
5-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201833
7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 145013764
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763
7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201835
5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 94979329
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
5,7-dichloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine;N,N-dimethylformamide
CID 158413149
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728
4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 10691278
5-(2-bromoethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 174698840
N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine
CID 129201804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane?
The IUPAC name of 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane (CID 145013765) is 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane.
What is the SMILES notation for 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane?
The canonical SMILES for 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane is CC.Cc1cc(Cl)c2nc(-c3ccc(C(F)(F)F)cc3)oc2c1.
What is the InChIKey of 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane?
The InChIKey is OMMCKOXJNDHESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO.C2H6/c1-8-6-11(16)13-12(7-8)21-14(20-13)9-2-4-10(5-3-9)15(17,18)19;1-2/h2-7H,1H3;1-2H3.
What are the key properties of 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane?
4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane has a molecular weight of 341.76 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane is sourced from PubChem (CID 145013765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).