N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C15H13F3N4O5 — CID 71593178

IUPACN-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C15H13F3N4O5/c16-15(17,18)27-11-3-1-9(2-4-11)5-13(23)19-10-6-21-7-12(22(24)25)20-14(21)26-8-10/h1-4,7,10H,5-6,8H2,(H,19,23)
InChIKeyIIOPDVZVWXUZCY-UHFFFAOYSA-N
MW386.29 g/mol
LogP1.81
Rot. Bonds5

About N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 71593178) has the molecular formula C15H13F3N4O5 and a molecular weight of 386.29 g/mol. Its IUPAC name is N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID71593178
Molecular FormulaC15H13F3N4O5
Molecular Weight386.29 g/mol
Exact Mass386.08
IUPAC NameN-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C15H13F3N4O5/c16-15(17,18)27-11-3-1-9(2-4-11)5-13(23)19-10-6-21-7-12(22(24)25)20-14(21)26-8-10/h1-4,7,10H,5-6,8H2,(H,19,23)
InChIKeyIIOPDVZVWXUZCY-UHFFFAOYSA-N
XLogP1.81
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 71593178) is N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NC1COc2nc([N+](=O)[O-])cn2C1.
What is the InChIKey of N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is IIOPDVZVWXUZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O5/c16-15(17,18)27-11-3-1-9(2-4-11)5-13(23)19-10-6-21-7-12(22(24)25)20-14(21)26-8-10/h1-4,7,10H,5-6,8H2,(H,19,23).
What are the key properties of N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 386.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 71593178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).