N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine

C7H8N2O2 — CID 13004329

IUPACN-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine
SMILESONC1Nc2ccccc2O1
InChIInChI=1S/C7H8N2O2/c10-9-7-8-5-3-1-2-4-6(5)11-7/h1-4,7-10H
InChIKeyRMCCNWYQVKGTHG-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.75
Rot. Bonds1

About N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine

N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine (PubChem CID 13004329) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine
PubChem CID13004329
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine
SMILESONC1Nc2ccccc2O1
InChIInChI=1S/C7H8N2O2/c10-9-7-8-5-3-1-2-4-6(5)11-7/h1-4,7-10H
InChIKeyRMCCNWYQVKGTHG-UHFFFAOYSA-N
XLogP0.75
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 66584986
2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole
CID 142926146
2-ethyl-2,3-dihydro-1,3-benzoxazole
CID 55303047
(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
CID 84618456
(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
(3S)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 95426412
3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide
CID 84624877
3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 84652608
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825472
N-hydroxy-2-(2-propan-2-ylanilino)-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668546
2-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 154211449

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine?
The IUPAC name of N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine (CID 13004329) is N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine.
What is the SMILES notation for N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine?
The canonical SMILES for N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine is ONC1Nc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine?
The InChIKey is RMCCNWYQVKGTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-9-7-8-5-3-1-2-4-6(5)11-7/h1-4,7-10H.
What are the key properties of N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine?
N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine has a molecular weight of 152.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine is sourced from PubChem (CID 13004329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).