2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

C8H11N3O3 — CID 173498527

IUPAC2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCCC1(C)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C8H11N3O3/c1-3-8(2)5-10-4-6(11(12)13)9-7(10)14-8/h4H,3,5H2,1-2H3
InChIKeyPWJVLFDJBZSZQQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.35
Rot. Bonds2

About 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 173498527) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID173498527
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCCC1(C)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C8H11N3O3/c1-3-8(2)5-10-4-6(11(12)13)9-7(10)14-8/h4H,3,5H2,1-2H3
InChIKeyPWJVLFDJBZSZQQ-UHFFFAOYSA-N
XLogP1.35
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2S)-2-hexyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 155925321
(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl methanesulfonate
CID 23081519
2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane
CID 143610880
(2R)-2-methyl-6-nitro-2-(piperazin-1-ylmethyl)-3H-imidazo[2,1-b][1,3]oxazole
CID 141088127
(2S)-2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 172743539
[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate
CID 69481298
N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine
CID 69481667
tributyl-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]stannane
CID 54771050
4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methoxy]benzaldehyde
CID 87531145
2-[4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazin-1-yl]butanoic acid
CID 69480545
2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 127031593
(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 6483574

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (CID 173498527) is 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is CCC1(C)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is PWJVLFDJBZSZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-8(2)5-10-4-6(11(12)13)9-7(10)14-8/h4H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 197.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 173498527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).