2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine

C8H10N2O — CID 166705107

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine
SMILES[H]/N=C/C(=C)c1c(C)noc1C
InChIInChI=1S/C8H10N2O/c1-5(4-9)8-6(2)10-11-7(8)3/h4,9H,1H2,2-3H3/b9-4+
InChIKeyILMOHXMKDKBANU-RUDMXATFSA-N
MW150.18 g/mol
LogP1.95
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine

2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine (PubChem CID 166705107) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine
PubChem CID166705107
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine
SMILES[H]/N=C/C(=C)c1c(C)noc1C
InChIInChI=1S/C8H10N2O/c1-5(4-9)8-6(2)10-11-7(8)3/h4,9H,1H2,2-3H3/b9-4+
InChIKeyILMOHXMKDKBANU-RUDMXATFSA-N
XLogP1.95
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine (CID 166705107) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine is [H]/N=C/C(=C)c1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine?
The InChIKey is ILMOHXMKDKBANU-RUDMXATFSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5(4-9)8-6(2)10-11-7(8)3/h4,9H,1H2,2-3H3/b9-4+.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine has a molecular weight of 150.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 166705107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).