(Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole

C7H10N2O2 — CID 142608951

IUPAC(Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole
SMILESC=C/C=N\OC.c1cocn1
InChIInChI=1S/C4H7NO.C3H3NO/c1-3-4-5-6-2;1-2-5-3-4-1/h3-4H,1H2,2H3;1-3H/b5-4-;
InChIKeyQXPYMGBSHSRFMS-MKWAYWHRSA-N
MW154.17 g/mol
LogP1.48
Rot. Bonds2

About (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole

(Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole (PubChem CID 142608951) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole.

Molecular Properties

Compound Name(Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole
PubChem CID142608951
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole
SMILESC=C/C=N\OC.c1cocn1
InChIInChI=1S/C4H7NO.C3H3NO/c1-3-4-5-6-2;1-2-5-3-4-1/h3-4H,1H2,2H3;1-3H/b5-4-;
InChIKeyQXPYMGBSHSRFMS-MKWAYWHRSA-N
XLogP1.48
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole?
The IUPAC name of (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole (CID 142608951) is (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole.
What is the SMILES notation for (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole?
The canonical SMILES for (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole is C=C/C=N\OC.c1cocn1.
What is the InChIKey of (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole?
The InChIKey is QXPYMGBSHSRFMS-MKWAYWHRSA-N. The full InChI is InChI=1S/C4H7NO.C3H3NO/c1-3-4-5-6-2;1-2-5-3-4-1/h3-4H,1H2,2H3;1-3H/b5-4-;.
What are the key properties of (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole?
(Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole has a molecular weight of 154.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxyprop-2-en-1-imine;1,3-oxazole is sourced from PubChem (CID 142608951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).