2-cyclohexyl-3-(4-methylphenyl)oxaziridine

C14H19NO — CID 18541877

IUPAC2-cyclohexyl-3-(4-methylphenyl)oxaziridine
SMILESCc1ccc(C2ON2C2CCCCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-7-9-12(10-8-11)14-15(16-14)13-5-3-2-4-6-13/h7-10,13-14H,2-6H2,1H3
InChIKeyQFHZWRLGZAPPJV-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.57
Rot. Bonds2

About 2-cyclohexyl-3-(4-methylphenyl)oxaziridine

2-cyclohexyl-3-(4-methylphenyl)oxaziridine (PubChem CID 18541877) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-cyclohexyl-3-(4-methylphenyl)oxaziridine.

Molecular Properties

Compound Name2-cyclohexyl-3-(4-methylphenyl)oxaziridine
PubChem CID18541877
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-cyclohexyl-3-(4-methylphenyl)oxaziridine
SMILESCc1ccc(C2ON2C2CCCCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-7-9-12(10-8-11)14-15(16-14)13-5-3-2-4-6-13/h7-10,13-14H,2-6H2,1H3
InChIKeyQFHZWRLGZAPPJV-UHFFFAOYSA-N
XLogP3.57
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(4-methylphenyl)oxaziridine?
The IUPAC name of 2-cyclohexyl-3-(4-methylphenyl)oxaziridine (CID 18541877) is 2-cyclohexyl-3-(4-methylphenyl)oxaziridine.
What is the SMILES notation for 2-cyclohexyl-3-(4-methylphenyl)oxaziridine?
The canonical SMILES for 2-cyclohexyl-3-(4-methylphenyl)oxaziridine is Cc1ccc(C2ON2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-3-(4-methylphenyl)oxaziridine?
The InChIKey is QFHZWRLGZAPPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-9-12(10-8-11)14-15(16-14)13-5-3-2-4-6-13/h7-10,13-14H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-3-(4-methylphenyl)oxaziridine?
2-cyclohexyl-3-(4-methylphenyl)oxaziridine has a molecular weight of 217.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(4-methylphenyl)oxaziridine is sourced from PubChem (CID 18541877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).