(NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine

C8H6N2O2 — CID 119083195

IUPAC(NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccc2ocnc2c1
InChIInChI=1S/C8H6N2O2/c11-10-4-6-1-2-8-7(3-6)9-5-12-8/h1-5,11H/b10-4+
InChIKeyVKMMYWXVFJXPLY-ONNFQVAWSA-N
MW162.15 g/mol
LogP1.64
Rot. Bonds1

About (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine

(NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine (PubChem CID 119083195) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine
PubChem CID119083195
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name(NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccc2ocnc2c1
InChIInChI=1S/C8H6N2O2/c11-10-4-6-1-2-8-7(3-6)9-5-12-8/h1-5,11H/b10-4+
InChIKeyVKMMYWXVFJXPLY-ONNFQVAWSA-N
XLogP1.64
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
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

(NZ)-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]methylidene]hydroxylamine
CID 99967867
N-[(2-fluoro-1-benzofuran-5-yl)methylidene]hydroxylamine
CID 118049849
(NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine
CID 144840727
(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine
CID 119083203
1,3-benzoxazole-5-sulfinate
CID 57295526
1-(1,3-benzoxazol-5-yl)propan-1-one
CID 119084710
(NE)-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
CID 23396337
(NZ)-N-[(2-bromo-4-pyridinyl)methylidene]hydroxylamine
CID 136728703
(NZ)-N-[(2-trimethylsilylfuro[3,2-b]pyridin-6-yl)methylidene]hydroxylamine
CID 74788064
bis(1,3-benzoxazole);stilbene
CID 66914199
CID 70416438
CID 70416438
1,3-benzoxazole;boric acid
CID 157492468

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine (CID 119083195) is (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine is O/N=C/c1ccc2ocnc2c1.
What is the InChIKey of (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine?
The InChIKey is VKMMYWXVFJXPLY-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-10-4-6-1-2-8-7(3-6)9-5-12-8/h1-5,11H/b10-4+.
What are the key properties of (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine?
(NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine has a molecular weight of 162.15 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,3-benzoxazol-5-ylmethylidene)hydroxylamine is sourced from PubChem (CID 119083195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).