(2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole

C14H12F3N3O5 — CID 6483572

IUPAC(2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESC[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C14H12F3N3O5/c1-13(7-19-6-11(20(21)22)18-12(19)25-13)8-23-9-2-4-10(5-3-9)24-14(15,16)17/h2-6H,7-8H2,1H3/t13-/m1/s1
InChIKeyGPWIINYCHXCGQH-CYBMUJFWSA-N
MW359.26 g/mol
LogP2.92
Rot. Bonds5

About (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole

(2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 6483572) has the molecular formula C14H12F3N3O5 and a molecular weight of 359.26 g/mol. Its IUPAC name is (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID6483572
Molecular FormulaC14H12F3N3O5
Molecular Weight359.26 g/mol
Exact Mass359.07
IUPAC Name(2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESC[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C14H12F3N3O5/c1-13(7-19-6-11(20(21)22)18-12(19)25-13)8-23-9-2-4-10(5-3-9)24-14(15,16)17/h2-6H,7-8H2,1H3/t13-/m1/s1
InChIKeyGPWIINYCHXCGQH-CYBMUJFWSA-N
XLogP2.92
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole (CID 6483572) is (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole is C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is GPWIINYCHXCGQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12F3N3O5/c1-13(7-19-6-11(20(21)22)18-12(19)25-13)8-23-9-2-4-10(5-3-9)24-14(15,16)17/h2-6H,7-8H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole?
(2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 359.26 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 6483572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).