4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane

C15H22N2O — CID 91299905

IUPAC4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane
SMILESCC.Cc1ncccc1/C=C/C1=NC(C)C(C)O1
InChIInChI=1S/C13H16N2O.C2H6/c1-9-11(3)16-13(15-9)7-6-12-5-4-8-14-10(12)2;1-2/h4-9,11H,1-3H3;1-2H3/b7-6+;
InChIKeyVBXXAVMDBCTLMR-UHDJGPCESA-N
MW246.35 g/mol
LogP3.64
Rot. Bonds2

About 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane

4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane (PubChem CID 91299905) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane
PubChem CID91299905
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane
SMILESCC.Cc1ncccc1/C=C/C1=NC(C)C(C)O1
InChIInChI=1S/C13H16N2O.C2H6/c1-9-11(3)16-13(15-9)7-6-12-5-4-8-14-10(12)2;1-2/h4-9,11H,1-3H3;1-2H3/b7-6+;
InChIKeyVBXXAVMDBCTLMR-UHDJGPCESA-N
XLogP3.64
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane?
The IUPAC name of 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane (CID 91299905) is 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane.
What is the SMILES notation for 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane?
The canonical SMILES for 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane is CC.Cc1ncccc1/C=C/C1=NC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane?
The InChIKey is VBXXAVMDBCTLMR-UHDJGPCESA-N. The full InChI is InChI=1S/C13H16N2O.C2H6/c1-9-11(3)16-13(15-9)7-6-12-5-4-8-14-10(12)2;1-2/h4-9,11H,1-3H3;1-2H3/b7-6+;.
What are the key properties of 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane?
4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane has a molecular weight of 246.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(E)-2-(2-methyl-3-pyridinyl)ethenyl]-4,5-dihydro-1,3-oxazole;ethane is sourced from PubChem (CID 91299905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).