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

C11H10N2O2 — CID 137224922

IUPACN-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(-c2ccccc2)on1
InChIInChI=1S/C11H10N2O2/c1-8(12-14)10-7-11(15-13-10)9-5-3-2-4-6-9/h2-7,14H,1H3
InChIKeyVACNGSLGWGREJJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.54
Rot. Bonds2

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

N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine (PubChem CID 137224922) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine
PubChem CID137224922
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(-c2ccccc2)on1
InChIInChI=1S/C11H10N2O2/c1-8(12-14)10-7-11(15-13-10)9-5-3-2-4-6-9/h2-7,14H,1H3
InChIKeyVACNGSLGWGREJJ-UHFFFAOYSA-N
XLogP2.54
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.54
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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Related Compounds

ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
N-[3-phenyl-1-(5-phenyl-1,2-oxazol-3-yl)prop-2-ynylidene]hydroxylamine
CID 163201074
5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
CID 138454533
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
3-methylsulfanyl-5-phenyl-1,2-oxazole
CID 5325023
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
(4-fluorophenyl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 10858449
4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline
CID 177388394
ethane;5-phenyl-1,2-oxazole-3-carbaldehyde
CID 144767511
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 78928016

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine (CID 137224922) is N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine is CC(=NO)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine?
The InChIKey is VACNGSLGWGREJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8(12-14)10-7-11(15-13-10)9-5-3-2-4-6-9/h2-7,14H,1H3.
What are the key properties of N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine?
N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine has a molecular weight of 202.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 137224922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).