(NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine

C17H20N2O2 — CID 6285086

IUPAC(NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
SMILESCCCCc1noc2c1/C(=N\O)CC(c1ccccc1)C2
InChIInChI=1S/C17H20N2O2/c1-2-3-9-14-17-15(18-20)10-13(11-16(17)21-19-14)12-7-5-4-6-8-12/h4-8,13,20H,2-3,9-11H2,1H3/b18-15-
InChIKeyDDYXNPSRXOROOT-SDXDJHTJSA-N
MW284.36 g/mol
LogP3.93
Rot. Bonds4

About (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine

(NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine (PubChem CID 6285086) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
PubChem CID6285086
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
SMILESCCCCc1noc2c1/C(=N\O)CC(c1ccccc1)C2
InChIInChI=1S/C17H20N2O2/c1-2-3-9-14-17-15(18-20)10-13(11-16(17)21-19-14)12-7-5-4-6-8-12/h4-8,13,20H,2-3,9-11H2,1H3/b18-15-
InChIKeyDDYXNPSRXOROOT-SDXDJHTJSA-N
XLogP3.93
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine (CID 6285086) is (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine is CCCCc1noc2c1/C(=N\O)CC(c1ccccc1)C2.
What is the InChIKey of (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The InChIKey is DDYXNPSRXOROOT-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-3-9-14-17-15(18-20)10-13(11-16(17)21-19-14)12-7-5-4-6-8-12/h4-8,13,20H,2-3,9-11H2,1H3/b18-15-.
What are the key properties of (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
(NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine has a molecular weight of 284.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-butyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 6285086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).