2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C18H20N2O — CID 139818204

IUPAC2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccc(-c2ccc(C3=NC(C)(C)CO3)cc2)nc1
InChIInChI=1S/C18H20N2O/c1-4-13-5-10-16(19-11-13)14-6-8-15(9-7-14)17-20-18(2,3)12-21-17/h5-11H,4,12H2,1-3H3
InChIKeyVESLFDVFRQFXKT-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.87
Rot. Bonds3

About 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 139818204) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID139818204
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccc(-c2ccc(C3=NC(C)(C)CO3)cc2)nc1
InChIInChI=1S/C18H20N2O/c1-4-13-5-10-16(19-11-13)14-6-8-15(9-7-14)17-20-18(2,3)12-21-17/h5-11H,4,12H2,1-3H3
InChIKeyVESLFDVFRQFXKT-UHFFFAOYSA-N
XLogP3.87
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methanol
CID 21464223
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
tetrakis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]boranuide
CID 53355034
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
2-[6-(4-ethylphenyl)-3-pyridinyl]ethanamine
CID 117001771
4,4-dimethyl-2-(1,2-oxazol-4-yl)-5H-1,3-oxazole
CID 45099307
5-ethyl-2-[4-(4-ethylcyclohexyl)phenyl]pyridine
CID 3126265
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
2-(4-ethylphenyl)-5-methylpyrazine
CID 91097565
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
CID 19842018
2-(4-bromo-2-deuteriophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 122212430

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 139818204) is 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CCc1ccc(-c2ccc(C3=NC(C)(C)CO3)cc2)nc1.
What is the InChIKey of 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is VESLFDVFRQFXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-13-5-10-16(19-11-13)14-6-8-15(9-7-14)17-20-18(2,3)12-21-17/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 280.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 139818204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).