(2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C13H10F3N3O5 — CID 127032756

IUPAC(2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cnc2n1C[C@H](COc1ccc(OC(F)(F)F)cc1)O2
InChIInChI=1S/C13H10F3N3O5/c14-13(15,16)24-9-3-1-8(2-4-9)22-7-10-6-18-11(19(20)21)5-17-12(18)23-10/h1-5,10H,6-7H2/t10-/m1/s1
InChIKeyGCDAXSQCBCUETA-SNVBAGLBSA-N
MW345.23 g/mol
LogP2.53
Rot. Bonds5

About (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole

(2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 127032756) has the molecular formula C13H10F3N3O5 and a molecular weight of 345.23 g/mol. Its IUPAC name is (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID127032756
Molecular FormulaC13H10F3N3O5
Molecular Weight345.23 g/mol
Exact Mass345.06
IUPAC Name(2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cnc2n1C[C@H](COc1ccc(OC(F)(F)F)cc1)O2
InChIInChI=1S/C13H10F3N3O5/c14-13(15,16)24-9-3-1-8(2-4-9)22-7-10-6-18-11(19(20)21)5-17-12(18)23-10/h1-5,10H,6-7H2/t10-/m1/s1
InChIKeyGCDAXSQCBCUETA-SNVBAGLBSA-N
XLogP2.53
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
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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Related Compounds

(6R)-2-nitro-6-[[4-(trifluoromethoxy)phenoxy]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50914370
(2S)-6-nitro-2-[[4-[4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidin-1-yl]phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 11466929
2-nitro-7-[[2-[[4-(trifluoromethoxy)phenyl]methoxy]quinolin-6-yl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 70874823
(6S)-2-nitro-6-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 54757189
7-[[3-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 70874848
[5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 90285361
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 25232905
7-[[4-(4-fluorophenyl)phenoxy]methyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50913483
(6S)-2-nitro-6-[[5-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-2-pyridinyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50916526
(6R)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 6320903
(6S,7S)-7-ethyl-2-nitro-N-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine
CID 53327586
2-nitro-7-[2-[[4-(trifluoromethoxy)phenyl]methoxy]ethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 142731446

Frequently Asked Questions

What is the IUPAC name of (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 127032756) is (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole is O=[N+]([O-])c1cnc2n1C[C@H](COc1ccc(OC(F)(F)F)cc1)O2.
What is the InChIKey of (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is GCDAXSQCBCUETA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H10F3N3O5/c14-13(15,16)24-9-3-1-8(2-4-9)22-7-10-6-18-11(19(20)21)5-17-12(18)23-10/h1-5,10H,6-7H2/t10-/m1/s1.
What are the key properties of (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
(2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 345.23 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 127032756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).