3,5-dimethyl-4-nitroso-1,2-oxazole

C5H6N2O2 — CID 142914082

IUPAC3,5-dimethyl-4-nitroso-1,2-oxazole
SMILESCc1noc(C)c1N=O
InChIInChI=1S/C5H6N2O2/c1-3-5(6-8)4(2)9-7-3/h1-2H3
InChIKeyLSBZXEDVJOHGKR-UHFFFAOYSA-N
MW126.11 g/mol
LogP1.69
Rot. Bonds1

About 3,5-dimethyl-4-nitroso-1,2-oxazole

3,5-dimethyl-4-nitroso-1,2-oxazole (PubChem CID 142914082) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 3,5-dimethyl-4-nitroso-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-nitroso-1,2-oxazole
PubChem CID142914082
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name3,5-dimethyl-4-nitroso-1,2-oxazole
SMILESCc1noc(C)c1N=O
InChIInChI=1S/C5H6N2O2/c1-3-5(6-8)4(2)9-7-3/h1-2H3
InChIKeyLSBZXEDVJOHGKR-UHFFFAOYSA-N
XLogP1.69
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-nitroso-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-nitroso-1,2-oxazole (CID 142914082) is 3,5-dimethyl-4-nitroso-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-nitroso-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-nitroso-1,2-oxazole is Cc1noc(C)c1N=O.
What is the InChIKey of 3,5-dimethyl-4-nitroso-1,2-oxazole?
The InChIKey is LSBZXEDVJOHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-5(6-8)4(2)9-7-3/h1-2H3.
What are the key properties of 3,5-dimethyl-4-nitroso-1,2-oxazole?
3,5-dimethyl-4-nitroso-1,2-oxazole has a molecular weight of 126.11 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-nitroso-1,2-oxazole is sourced from PubChem (CID 142914082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).