2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole

C12H10F3N5O4 — CID 127031593

IUPAC2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2cnc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C12H10F3N5O4/c1-11(5-19-4-8(20(21)22)18-10(19)24-11)6-23-9-3-16-7(2-17-9)12(13,14)15/h2-4H,5-6H2,1H3
InChIKeyJOHSHTQLTRXLHJ-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole

2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 127031593) has the molecular formula C12H10F3N5O4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID127031593
Molecular FormulaC12H10F3N5O4
Molecular Weight345.24 g/mol
Exact Mass345.07
IUPAC Name2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2cnc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C12H10F3N5O4/c1-11(5-19-4-8(20(21)22)18-10(19)24-11)6-23-9-3-16-7(2-17-9)12(13,14)15/h2-4H,5-6H2,1H3
InChIKeyJOHSHTQLTRXLHJ-UHFFFAOYSA-N
XLogP1.83
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.83
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'}

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Related Compounds

2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 50913333
(7R)-7-methyl-2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine
CID 166628268
(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl methanesulfonate
CID 23081519
2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 173498527
4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methoxy]benzaldehyde
CID 87531145
2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 50913481
[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate
CID 69481298
tributyl-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]stannane
CID 54771050
(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 6483574
(2R)-2-methyl-6-nitro-2-[[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 10006788
(2S)-2-methyl-6-nitro-2-[[4-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 11365299
4-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]-1,4-thiazinane 1-oxide
CID 6483576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole (CID 127031593) is 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole is CC1(COc2cnc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is JOHSHTQLTRXLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O4/c1-11(5-19-4-8(20(21)22)18-10(19)24-11)6-23-9-3-16-7(2-17-9)12(13,14)15/h2-4H,5-6H2,1H3.
What are the key properties of 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 345.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 127031593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).