(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol

C6H7N3O4 — CID 12570031

IUPAC(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol
SMILESO=[N+]([O-])c1cn2c(n1)OC(CO)C2
InChIInChI=1S/C6H7N3O4/c10-3-4-1-8-2-5(9(11)12)7-6(8)13-4/h2,4,10H,1,3H2
InChIKeyDZVRQBCYAQDGSA-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.46
Rot. Bonds2

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

(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol (PubChem CID 12570031) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol.

Molecular Properties

Compound Name(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol
PubChem CID12570031
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol
SMILESO=[N+]([O-])c1cn2c(n1)OC(CO)C2
InChIInChI=1S/C6H7N3O4/c10-3-4-1-8-2-5(9(11)12)7-6(8)13-4/h2,4,10H,1,3H2
InChIKeyDZVRQBCYAQDGSA-UHFFFAOYSA-N
XLogP-0.46
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.46
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 (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol?
The IUPAC name of (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol (CID 12570031) is (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol.
What is the SMILES notation for (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol?
The canonical SMILES for (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol is O=[N+]([O-])c1cn2c(n1)OC(CO)C2.
What is the InChIKey of (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol?
The InChIKey is DZVRQBCYAQDGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c10-3-4-1-8-2-5(9(11)12)7-6(8)13-4/h2,4,10H,1,3H2.
What are the key properties of (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol?
(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol has a molecular weight of 185.14 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methanol is sourced from PubChem (CID 12570031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).