ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine

C12H22N2O — CID 142280946

IUPACethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine
SMILESCC.CC.[H]/N=C/c1oc(C)nc1/C=C\C
InChIInChI=1S/C8H10N2O.2C2H6/c1-3-4-7-8(5-9)11-6(2)10-7;2*1-2/h3-5,9H,1-2H3;2*1-2H3/b4-3-,9-5+;;
InChIKeyGCQLZNHQJJCAQB-LBMYMVABSA-N
MW210.32 g/mol
LogP4.07
Rot. Bonds2

About ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine

ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine (PubChem CID 142280946) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine.

Molecular Properties

Compound Nameethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine
PubChem CID142280946
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine
SMILESCC.CC.[H]/N=C/c1oc(C)nc1/C=C\C
InChIInChI=1S/C8H10N2O.2C2H6/c1-3-4-7-8(5-9)11-6(2)10-7;2*1-2/h3-5,9H,1-2H3;2*1-2H3/b4-3-,9-5+;;
InChIKeyGCQLZNHQJJCAQB-LBMYMVABSA-N
XLogP4.07
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.07
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 ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine?
The IUPAC name of ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine (CID 142280946) is ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine.
What is the SMILES notation for ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine?
The canonical SMILES for ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine is CC.CC.[H]/N=C/c1oc(C)nc1/C=C\C.
What is the InChIKey of ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine?
The InChIKey is GCQLZNHQJJCAQB-LBMYMVABSA-N. The full InChI is InChI=1S/C8H10N2O.2C2H6/c1-3-4-7-8(5-9)11-6(2)10-7;2*1-2/h3-5,9H,1-2H3;2*1-2H3/b4-3-,9-5+;;.
What are the key properties of ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine?
ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine has a molecular weight of 210.32 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine is sourced from PubChem (CID 142280946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).