N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C19H15F3N4O2 — CID 51122950

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCCc1nc2cc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)ccc2o1
InChIInChI=1S/C19H15F3N4O2/c1-2-17-24-13-9-11(7-8-15(13)28-17)23-16(27)10-26-14-6-4-3-5-12(14)25-18(26)19(20,21)22/h3-9H,2,10H2,1H3,(H,23,27)
InChIKeyJAWOKANBBQOTOG-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.40
Rot. Bonds4

About N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 51122950) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID51122950
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCCc1nc2cc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)ccc2o1
InChIInChI=1S/C19H15F3N4O2/c1-2-17-24-13-9-11(7-8-15(13)28-17)23-16(27)10-26-14-6-4-3-5-12(14)25-18(26)19(20,21)22/h3-9H,2,10H2,1H3,(H,23,27)
InChIKeyJAWOKANBBQOTOG-UHFFFAOYSA-N
XLogP4.40
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 43040516
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26688623
N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51122954
N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26517476
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37003501
N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26196060
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37122278
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17472904
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29242867
N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39951951

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 51122950) is N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is CCc1nc2cc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is JAWOKANBBQOTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-2-17-24-13-9-11(7-8-15(13)28-17)23-16(27)10-26-14-6-4-3-5-12(14)25-18(26)19(20,21)22/h3-9H,2,10H2,1H3,(H,23,27).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 388.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 51122950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).