O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine

C5H7ClN2O2 — CID 13312705

IUPACO-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine
SMILESCc1noc(CON)c1Cl
InChIInChI=1S/C5H7ClN2O2/c1-3-5(6)4(2-9-7)10-8-3/h2,7H2,1H3
InChIKeyYYNUTCHFWJHJBY-UHFFFAOYSA-N
MW162.58 g/mol
LogP1.03
Rot. Bonds2

About O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine

O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine (PubChem CID 13312705) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine
PubChem CID13312705
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC NameO-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine
SMILESCc1noc(CON)c1Cl
InChIInChI=1S/C5H7ClN2O2/c1-3-5(6)4(2-9-7)10-8-3/h2,7H2,1H3
InChIKeyYYNUTCHFWJHJBY-UHFFFAOYSA-N
XLogP1.03
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine (CID 13312705) is O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine is Cc1noc(CON)c1Cl.
What is the InChIKey of O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine?
The InChIKey is YYNUTCHFWJHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2/c1-3-5(6)4(2-9-7)10-8-3/h2,7H2,1H3.
What are the key properties of O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine?
O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine has a molecular weight of 162.58 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 13312705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).