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

C7H9N3O4 — CID 23081240

IUPAC(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol
SMILESCC1(CO)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C7H9N3O4/c1-7(4-11)3-9-2-5(10(12)13)8-6(9)14-7/h2,11H,3-4H2,1H3
InChIKeyUYEAVRLFLZMBSY-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.07
Rot. Bonds2

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

(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol (PubChem CID 23081240) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol.

Molecular Properties

Compound Name(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol
PubChem CID23081240
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol
SMILESCC1(CO)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C7H9N3O4/c1-7(4-11)3-9-2-5(10(12)13)8-6(9)14-7/h2,11H,3-4H2,1H3
InChIKeyUYEAVRLFLZMBSY-UHFFFAOYSA-N
XLogP-0.07
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol?
The IUPAC name of (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol (CID 23081240) is (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol.
What is the SMILES notation for (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol?
The canonical SMILES for (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol is CC1(CO)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol?
The InChIKey is UYEAVRLFLZMBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-7(4-11)3-9-2-5(10(12)13)8-6(9)14-7/h2,11H,3-4H2,1H3.
What are the key properties of (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol?
(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol has a molecular weight of 199.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol is sourced from PubChem (CID 23081240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).