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

C10H10N2O2 — CID 134862944

IUPACN-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine
SMILESON=C[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10N2O2/c13-11-7-9-6-10(12-14-9)8-4-2-1-3-5-8/h1-5,7,9,13H,6H2/t9-/m1/s1
InChIKeyVLXUCEVCKUGAQH-SECBINFHSA-N
MW190.20 g/mol
LogP1.64
Rot. Bonds2

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

N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine (PubChem CID 134862944) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine
PubChem CID134862944
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine
SMILESON=C[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10N2O2/c13-11-7-9-6-10(12-14-9)8-4-2-1-3-5-8/h1-5,7,9,13H,6H2/t9-/m1/s1
InChIKeyVLXUCEVCKUGAQH-SECBINFHSA-N
XLogP1.64
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.64
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

(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 11471142
(1S)-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668475
(1R)-1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 15668474
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
(2S)-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]pentan-1-ol
CID 101229843
N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46489182
benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 14998593
2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyridin-3-ylethanol
CID 14899368
(5R)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 139187390
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
CID 161145249

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine (CID 134862944) is N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine is ON=C[C@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine?
The InChIKey is VLXUCEVCKUGAQH-SECBINFHSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-11-7-9-6-10(12-14-9)8-4-2-1-3-5-8/h1-5,7,9,13H,6H2/t9-/m1/s1.
What are the key properties of N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine?
N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine has a molecular weight of 190.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methylidene]hydroxylamine is sourced from PubChem (CID 134862944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).