5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one

C11H8ClN3O3 — CID 88982501

IUPAC5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one
SMILESCc1oc(=O)c(Nc2ccc(N=O)cc2)nc1Cl
InChIInChI=1S/C11H8ClN3O3/c1-6-9(12)14-10(11(16)18-6)13-7-2-4-8(15-17)5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyPLUFYURIPRGBKI-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.14
Rot. Bonds3

About 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one

5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one (PubChem CID 88982501) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one.

Molecular Properties

Compound Name5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one
PubChem CID88982501
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one
SMILESCc1oc(=O)c(Nc2ccc(N=O)cc2)nc1Cl
InChIInChI=1S/C11H8ClN3O3/c1-6-9(12)14-10(11(16)18-6)13-7-2-4-8(15-17)5-3-7/h2-5H,1H3,(H,13,14)
InChIKeyPLUFYURIPRGBKI-UHFFFAOYSA-N
XLogP3.14
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one?
The IUPAC name of 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one (CID 88982501) is 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one.
What is the SMILES notation for 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one?
The canonical SMILES for 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one is Cc1oc(=O)c(Nc2ccc(N=O)cc2)nc1Cl.
What is the InChIKey of 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one?
The InChIKey is PLUFYURIPRGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c1-6-9(12)14-10(11(16)18-6)13-7-2-4-8(15-17)5-3-7/h2-5H,1H3,(H,13,14).
What are the key properties of 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one?
5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one has a molecular weight of 265.66 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-3-(4-nitrosoanilino)-1,4-oxazin-2-one is sourced from PubChem (CID 88982501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).