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

C16H18N2O2 — CID 6059475

IUPAC(NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
SMILESCCCc1noc2c1/C(=N\O)CC(c1ccccc1)C2
InChIInChI=1S/C16H18N2O2/c1-2-6-13-16-14(17-19)9-12(10-15(16)20-18-13)11-7-4-3-5-8-11/h3-5,7-8,12,19H,2,6,9-10H2,1H3/b17-14-
InChIKeyAXJATIZSPNEBAD-VKAVYKQESA-N
MW270.33 g/mol
LogP3.54
Rot. Bonds3

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

(NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine (PubChem CID 6059475) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
PubChem CID6059475
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
SMILESCCCc1noc2c1/C(=N\O)CC(c1ccccc1)C2
InChIInChI=1S/C16H18N2O2/c1-2-6-13-16-14(17-19)9-12(10-15(16)20-18-13)11-7-4-3-5-8-11/h3-5,7-8,12,19H,2,6,9-10H2,1H3/b17-14-
InChIKeyAXJATIZSPNEBAD-VKAVYKQESA-N
XLogP3.54
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.54
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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine (CID 6059475) is (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine is CCCc1noc2c1/C(=N\O)CC(c1ccccc1)C2.
What is the InChIKey of (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
The InChIKey is AXJATIZSPNEBAD-VKAVYKQESA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-6-13-16-14(17-19)9-12(10-15(16)20-18-13)11-7-4-3-5-8-11/h3-5,7-8,12,19H,2,6,9-10H2,1H3/b17-14-.
What are the key properties of (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine?
(NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine has a molecular weight of 270.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-phenyl-3-propyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 6059475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).