(6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C14H13F3N4O5 — CID 54758191

IUPAC(6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C14H13F3N4O5/c15-14(16,17)11-2-1-9(5-18-11)24-3-4-25-10-6-20-7-12(21(22)23)19-13(20)26-8-10/h1-2,5,7,10H,3-4,6,8H2/t10-/m0/s1
InChIKeyUMQPCBGONQGZDQ-JTQLQIEISA-N
MW374.28 g/mol
LogP2.06
Rot. Bonds6

About (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

(6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 54758191) has the molecular formula C14H13F3N4O5 and a molecular weight of 374.28 g/mol. Its IUPAC name is (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID54758191
Molecular FormulaC14H13F3N4O5
Molecular Weight374.28 g/mol
Exact Mass374.08
IUPAC Name(6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C14H13F3N4O5/c15-14(16,17)11-2-1-9(5-18-11)24-3-4-25-10-6-20-7-12(21(22)23)19-13(20)26-8-10/h1-2,5,7,10H,3-4,6,8H2/t10-/m0/s1
InChIKeyUMQPCBGONQGZDQ-JTQLQIEISA-N
XLogP2.06
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 54758191) is (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(C(F)(F)F)nc1)C2.
What is the InChIKey of (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is UMQPCBGONQGZDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13F3N4O5/c15-14(16,17)11-2-1-9(5-18-11)24-3-4-25-10-6-20-7-12(21(22)23)19-13(20)26-8-10/h1-2,5,7,10H,3-4,6,8H2/t10-/m0/s1.
What are the key properties of (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
(6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 374.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-nitro-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 54758191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).