methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate

C11H8N2O4 — CID 89063636

IUPACmethyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1onc(-c2ccccc2)c1N=O
InChIInChI=1S/C11H8N2O4/c1-16-11(14)10-9(12-15)8(13-17-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyCHHHXABQCJGRIT-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.53
Rot. Bonds3

About methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate

methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate (PubChem CID 89063636) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate
PubChem CID89063636
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Namemethyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1onc(-c2ccccc2)c1N=O
InChIInChI=1S/C11H8N2O4/c1-16-11(14)10-9(12-15)8(13-17-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyCHHHXABQCJGRIT-UHFFFAOYSA-N
XLogP2.53
TPSA81.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate (CID 89063636) is methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate is COC(=O)c1onc(-c2ccccc2)c1N=O.
What is the InChIKey of methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate?
The InChIKey is CHHHXABQCJGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-16-11(14)10-9(12-15)8(13-17-10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate?
methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate has a molecular weight of 232.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 89063636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).