4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole

C19H16N2O — CID 68974055

IUPAC4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCCc1cccc(C#Cc2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C19H16N2O/c1-3-16-10-7-11-17(20-16)12-13-18-14(2)22-21-19(18)15-8-5-4-6-9-15/h4-11H,3H2,1-2H3
InChIKeyPZAGMGWDFKHGKK-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.01
Rot. Bonds2

About 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole

4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 68974055) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID68974055
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCCc1cccc(C#Cc2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C19H16N2O/c1-3-16-10-7-11-17(20-16)12-13-18-14(2)22-21-19(18)15-8-5-4-6-9-15/h4-11H,3H2,1-2H3
InChIKeyPZAGMGWDFKHGKK-UHFFFAOYSA-N
XLogP4.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-ethyl-2-pyridinyl)ethynyl-trimethylsilane
CID 140713694
5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole
CID 24783917
2-methyl-5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethynyl]-1,3-thiazole-4-carboxylic acid
CID 141190610
3-[2-(6-ethyl-2-pyridinyl)ethynyl]benzonitrile
CID 70695479
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
2-(2,4-diphenylimidazol-1-yl)-6-ethylpyridine
CID 58620996
4-(7-ethylimidazo[1,2-a]pyridin-2-yl)-5-methyl-3-phenyl-1,2-oxazole
CID 24738343
N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 75450815
1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127036
7-ethyl-3-phenyl-1,2-benzoxazole
CID 12562676
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 58833256

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole (CID 68974055) is 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole is CCc1cccc(C#Cc2c(-c3ccccc3)noc2C)n1.
What is the InChIKey of 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is PZAGMGWDFKHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-3-16-10-7-11-17(20-16)12-13-18-14(2)22-21-19(18)15-8-5-4-6-9-15/h4-11H,3H2,1-2H3.
What are the key properties of 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole?
4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 288.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 68974055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).