[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate

C9H12N4O5 — CID 69481298

IUPAC[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OC[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C9H12N4O5/c1-9(5-17-8(14)10-2)4-12-3-6(13(15)16)11-7(12)18-9/h3H,4-5H2,1-2H3,(H,10,14)/t9-/m1/s1
InChIKeyWRGXXJHOSYBTOU-SECBINFHSA-N
MW256.22 g/mol
LogP0.30
Rot. Bonds3

About [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate

[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate (PubChem CID 69481298) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate
PubChem CID69481298
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Name[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OC[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C9H12N4O5/c1-9(5-17-8(14)10-2)4-12-3-6(13(15)16)11-7(12)18-9/h3H,4-5H2,1-2H3,(H,10,14)/t9-/m1/s1
InChIKeyWRGXXJHOSYBTOU-SECBINFHSA-N
XLogP0.30
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
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

(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
[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 69481394
(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate
CID 69481242
4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methoxy]benzaldehyde
CID 87531145
(2S)-2-hexyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 155925321
1-(4-tert-butylphenyl)-3-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]urea
CID 127040774
2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 127031593
2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane
CID 143610880
(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 6483574
tributyl-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]stannane
CID 54771050
4-[2-chloro-4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methoxy]phenyl]piperazine-1-carboxylic acid
CID 69481197

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate?
The IUPAC name of [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate (CID 69481298) is [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate.
What is the SMILES notation for [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate?
The canonical SMILES for [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate is CNC(=O)OC[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate?
The InChIKey is WRGXXJHOSYBTOU-SECBINFHSA-N. The full InChI is InChI=1S/C9H12N4O5/c1-9(5-17-8(14)10-2)4-12-3-6(13(15)16)11-7(12)18-9/h3H,4-5H2,1-2H3,(H,10,14)/t9-/m1/s1.
What are the key properties of [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate?
[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate has a molecular weight of 256.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl N-methylcarbamate is sourced from PubChem (CID 69481298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).