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

C7H8N4O5 — CID 89437400

IUPAC(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate
SMILESNC(=O)OCC1Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C7H8N4O5/c8-6(12)15-3-4-1-10-2-5(11(13)14)9-7(10)16-4/h2,4H,1,3H2,(H2,8,12)
InChIKeyAKHABRLRBUNSTB-UHFFFAOYSA-N
MW228.16 g/mol
LogP-0.35
Rot. Bonds3

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

(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate (PubChem CID 89437400) has the molecular formula C7H8N4O5 and a molecular weight of 228.16 g/mol. Its IUPAC name is (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate.

Molecular Properties

Compound Name(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate
PubChem CID89437400
Molecular FormulaC7H8N4O5
Molecular Weight228.16 g/mol
Exact Mass228.05
IUPAC Name(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate
SMILESNC(=O)OCC1Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C7H8N4O5/c8-6(12)15-3-4-1-10-2-5(11(13)14)9-7(10)16-4/h2,4H,1,3H2,(H2,8,12)
InChIKeyAKHABRLRBUNSTB-UHFFFAOYSA-N
XLogP-0.35
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 5-0.35
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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Frequently Asked Questions

What is the IUPAC name of (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate?
The IUPAC name of (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate (CID 89437400) is (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate.
What is the SMILES notation for (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate?
The canonical SMILES for (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate is NC(=O)OCC1Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate?
The InChIKey is AKHABRLRBUNSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O5/c8-6(12)15-3-4-1-10-2-5(11(13)14)9-7(10)16-4/h2,4H,1,3H2,(H2,8,12).
What are the key properties of (6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate?
(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate has a molecular weight of 228.16 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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)methyl carbamate is sourced from PubChem (CID 89437400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).