N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine

C6H8N2O2 — CID 74051013

IUPACN-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ocnc1C
InChIInChI=1S/C6H8N2O2/c1-4-6(5(2)8-9)10-3-7-4/h3,9H,1-2H3
InChIKeyQNQBWGMVXCVAAH-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.18
Rot. Bonds1

About N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine

N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine (PubChem CID 74051013) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine
PubChem CID74051013
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC NameN-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ocnc1C
InChIInChI=1S/C6H8N2O2/c1-4-6(5(2)8-9)10-3-7-4/h3,9H,1-2H3
InChIKeyQNQBWGMVXCVAAH-UHFFFAOYSA-N
XLogP1.18
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine (CID 74051013) is N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine is CC(=NO)c1ocnc1C.
What is the InChIKey of N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is QNQBWGMVXCVAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-6(5(2)8-9)10-3-7-4/h3,9H,1-2H3.
What are the key properties of N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine?
N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 140.14 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-oxazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 74051013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).