(NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine

C17H16N2O2 — CID 10062203

IUPAC(NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine
SMILESO/N=C(\CC1=NOC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-18-16(13-7-3-1-4-8-13)11-15-12-17(21-19-15)14-9-5-2-6-10-14/h1-10,17,20H,11-12H2/b18-16+
InChIKeyDXYUMSONZLIKPY-FBMGVBCBSA-N
MW280.33 g/mol
LogP3.77
Rot. Bonds4

About (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine

(NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine (PubChem CID 10062203) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine
PubChem CID10062203
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine
SMILESO/N=C(\CC1=NOC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-18-16(13-7-3-1-4-8-13)11-15-12-17(21-19-15)14-9-5-2-6-10-14/h1-10,17,20H,11-12H2/b18-16+
InChIKeyDXYUMSONZLIKPY-FBMGVBCBSA-N
XLogP3.77
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.77
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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Related Compounds

(NE)-N-[1-(3-chlorophenyl)-2-[5-(3-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]hydroxylamine
CID 10315775
3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 155819586
2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetaldehyde
CID 151995500
(5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
CID 76764381
(5S)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole;(5R)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole
CID 159139120
(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538881
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
2-bromo-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 87557465
[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 19426825
4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid
CID 71415133
N-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetamide
CID 121221970
(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 15939754

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine (CID 10062203) is (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine is O/N=C(\CC1=NOC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine?
The InChIKey is DXYUMSONZLIKPY-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-18-16(13-7-3-1-4-8-13)11-15-12-17(21-19-15)14-9-5-2-6-10-14/h1-10,17,20H,11-12H2/b18-16+.
What are the key properties of (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine?
(NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine has a molecular weight of 280.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-phenyl-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 10062203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).