N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide

C14H14F3N3O2 — CID 162798931

IUPACN-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COCc2nc3cc(C(F)(F)F)ccc3n21
InChIInChI=1S/C14H14F3N3O2/c1-8(21)18-5-10-6-22-7-13-19-11-4-9(14(15,16)17)2-3-12(11)20(10)13/h2-4,10H,5-7H2,1H3,(H,18,21)
InChIKeyAITLQXWFIWJCEP-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.26
Rot. Bonds2

About N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide

N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide (PubChem CID 162798931) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide
PubChem CID162798931
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COCc2nc3cc(C(F)(F)F)ccc3n21
InChIInChI=1S/C14H14F3N3O2/c1-8(21)18-5-10-6-22-7-13-19-11-4-9(14(15,16)17)2-3-12(11)20(10)13/h2-4,10H,5-7H2,1H3,(H,18,21)
InChIKeyAITLQXWFIWJCEP-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide (CID 162798931) is N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide is CC(=O)NCC1COCc2nc3cc(C(F)(F)F)ccc3n21.
What is the InChIKey of N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide?
The InChIKey is AITLQXWFIWJCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8(21)18-5-10-6-22-7-13-19-11-4-9(14(15,16)17)2-3-12(11)20(10)13/h2-4,10H,5-7H2,1H3,(H,18,21).
What are the key properties of N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide?
N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide is sourced from PubChem (CID 162798931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).