(Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine

C9H12N2O — CID 88961157

IUPAC(Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine
SMILESC/C=C\C(=N/C)c1ocnc1C
InChIInChI=1S/C9H12N2O/c1-4-5-8(10-3)9-7(2)11-6-12-9/h4-6H,1-3H3/b5-4-,10-8+
InChIKeyILHOOIFOIQBUDL-BTCMVDHLSA-N
MW164.21 g/mol
LogP1.98
Rot. Bonds2

About (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine

(Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine (PubChem CID 88961157) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine
PubChem CID88961157
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine
SMILESC/C=C\C(=N/C)c1ocnc1C
InChIInChI=1S/C9H12N2O/c1-4-5-8(10-3)9-7(2)11-6-12-9/h4-6H,1-3H3/b5-4-,10-8+
InChIKeyILHOOIFOIQBUDL-BTCMVDHLSA-N
XLogP1.98
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
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 (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine (CID 88961157) is (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine is C/C=C\C(=N/C)c1ocnc1C.
What is the InChIKey of (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine?
The InChIKey is ILHOOIFOIQBUDL-BTCMVDHLSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-5-8(10-3)9-7(2)11-6-12-9/h4-6H,1-3H3/b5-4-,10-8+.
What are the key properties of (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine?
(Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine has a molecular weight of 164.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine is sourced from PubChem (CID 88961157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).