(NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine

C15H12N2O2 — CID 135778341

IUPAC(NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine
SMILESO/N=C1\C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-16-14-13(11-7-3-1-4-8-11)17-19-15(14)12-9-5-2-6-10-12/h1-10,15,18H/b16-14+
InChIKeyBIYBIMLFRMANDH-JQIJEIRASA-N
MW252.27 g/mol
LogP2.99
Rot. Bonds2

About (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine

(NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine (PubChem CID 135778341) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine
PubChem CID135778341
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine
SMILESO/N=C1\C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-16-14-13(11-7-3-1-4-8-11)17-19-15(14)12-9-5-2-6-10-12/h1-10,15,18H/b16-14+
InChIKeyBIYBIMLFRMANDH-JQIJEIRASA-N
XLogP2.99
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.99
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 (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine (CID 135778341) is (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine is O/N=C1\C(c2ccccc2)=NOC1c1ccccc1.
What is the InChIKey of (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine?
The InChIKey is BIYBIMLFRMANDH-JQIJEIRASA-N. The full InChI is InChI=1S/C15H12N2O2/c18-16-14-13(11-7-3-1-4-8-11)17-19-15(14)12-9-5-2-6-10-12/h1-10,15,18H/b16-14+.
What are the key properties of (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine?
(NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine has a molecular weight of 252.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135778341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).