(NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine

C11H10N2O2S — CID 25149160

IUPAC(NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
SMILESCSc1noc(-c2ccccc2)c1/C=N\O
InChIInChI=1S/C11H10N2O2S/c1-16-11-9(7-12-14)10(15-13-11)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-7-
InChIKeyJWMHWTRLGLWIJV-GHXNOFRVSA-N
MW234.28 g/mol
LogP2.87
Rot. Bonds3

About (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine

(NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine (PubChem CID 25149160) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
PubChem CID25149160
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
SMILESCSc1noc(-c2ccccc2)c1/C=N\O
InChIInChI=1S/C11H10N2O2S/c1-16-11-9(7-12-14)10(15-13-11)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-7-
InChIKeyJWMHWTRLGLWIJV-GHXNOFRVSA-N
XLogP2.87
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine (CID 25149160) is (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine is CSc1noc(-c2ccccc2)c1/C=N\O.
What is the InChIKey of (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?
The InChIKey is JWMHWTRLGLWIJV-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-11-9(7-12-14)10(15-13-11)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-7-.
What are the key properties of (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine?
(NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine has a molecular weight of 234.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-methylsulfanyl-5-phenyl-1,2-oxazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 25149160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).