N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

C17H13F3N2O2 — CID 9185246

IUPACN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc2nc(-c3cccc(NC(=O)C(F)(F)F)c3)oc2cc1C
InChIInChI=1S/C17H13F3N2O2/c1-9-6-13-14(7-10(9)2)24-15(22-13)11-4-3-5-12(8-11)21-16(23)17(18,19)20/h3-8H,1-2H3,(H,21,23)
InChIKeyQYWQICGDBNMORS-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.61
Rot. Bonds2

About N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 9185246) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID9185246
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc2nc(-c3cccc(NC(=O)C(F)(F)F)c3)oc2cc1C
InChIInChI=1S/C17H13F3N2O2/c1-9-6-13-14(7-10(9)2)24-15(22-13)11-4-3-5-12(8-11)21-16(23)17(18,19)20/h3-8H,1-2H3,(H,21,23)
InChIKeyQYWQICGDBNMORS-UHFFFAOYSA-N
XLogP4.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 881883
2,2,2-trifluoro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 9185231
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-iodobenzamide
CID 3117254
2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3421834
N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334878
3,5-dibromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17318757
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334912
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-yl]-2,2,2-trifluoroacetamide
CID 91676785
N-[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 9203602
2,2,2-trichloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241503
2,2,2-trichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1338293

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide (CID 9185246) is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is Cc1cc2nc(-c3cccc(NC(=O)C(F)(F)F)c3)oc2cc1C.
What is the InChIKey of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is QYWQICGDBNMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-9-6-13-14(7-10(9)2)24-15(22-13)11-4-3-5-12(8-11)21-16(23)17(18,19)20/h3-8H,1-2H3,(H,21,23).
What are the key properties of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 334.30 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 9185246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).