2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C9H13N3O5 — CID 23081554

IUPAC2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCOCOCCC1Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C9H13N3O5/c1-15-6-16-3-2-7-4-11-5-8(12(13)14)10-9(11)17-7/h5,7H,2-4,6H2,1H3
InChIKeyAIRVMQVDXVVKTH-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.56
Rot. Bonds6

About 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 23081554) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID23081554
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCOCOCCC1Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C9H13N3O5/c1-15-6-16-3-2-7-4-11-5-8(12(13)14)10-9(11)17-7/h5,7H,2-4,6H2,1H3
InChIKeyAIRVMQVDXVVKTH-UHFFFAOYSA-N
XLogP0.56
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 23081554) is 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is COCOCCC1Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is AIRVMQVDXVVKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-15-6-16-3-2-7-4-11-5-8(12(13)14)10-9(11)17-7/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 243.22 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)ethyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 23081554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).