(2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C12H15N3O6 — CID 56949969

IUPAC(2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1(C)O[C@H]2[C@@H]([C@H]3Cn4cc([N+](=O)[O-])nc4O3)OC[C@H]2O1
InChIInChI=1S/C12H15N3O6/c1-12(2)20-7-5-18-9(10(7)21-12)6-3-14-4-8(15(16)17)13-11(14)19-6/h4,6-7,9-10H,3,5H2,1-2H3/t6-,7-,9-,10-/m1/s1
InChIKeyBKKADWSYIZGPJJ-KHUVANEUSA-N
MW297.27 g/mol
LogP0.47
Rot. Bonds2

About (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

(2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 56949969) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID56949969
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name(2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1(C)O[C@H]2[C@@H]([C@H]3Cn4cc([N+](=O)[O-])nc4O3)OC[C@H]2O1
InChIInChI=1S/C12H15N3O6/c1-12(2)20-7-5-18-9(10(7)21-12)6-3-14-4-8(15(16)17)13-11(14)19-6/h4,6-7,9-10H,3,5H2,1-2H3/t6-,7-,9-,10-/m1/s1
InChIKeyBKKADWSYIZGPJJ-KHUVANEUSA-N
XLogP0.47
TPSA97.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole with MolForge

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Related Compounds

6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 59212246
6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 75071587
6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 77395808
2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane
CID 143610880
2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 23081554
(2S)-2-hexyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 155925321
2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide
CID 140609193
(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate
CID 89437400
2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 21062559
2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 173498527
(6S)-2-nitro-6-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44627665
(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 68545247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 56949969) is (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is CC1(C)O[C@H]2[C@@H]([C@H]3Cn4cc([N+](=O)[O-])nc4O3)OC[C@H]2O1.
What is the InChIKey of (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is BKKADWSYIZGPJJ-KHUVANEUSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-12(2)20-7-5-18-9(10(7)21-12)6-3-14-4-8(15(16)17)13-11(14)19-6/h4,6-7,9-10H,3,5H2,1-2H3/t6-,7-,9-,10-/m1/s1.
What are the key properties of (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
(2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 297.27 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 56949969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).