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

C18H14N2O — CID 24783917

IUPAC5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole
SMILESCc1cccnc1C#Cc1c(-c2ccccc2)noc1C
InChIInChI=1S/C18H14N2O/c1-13-7-6-12-19-17(13)11-10-16-14(2)21-20-18(16)15-8-4-3-5-9-15/h3-9,12H,1-2H3
InChIKeyUURIUVFSQADWIZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.75
Rot. Bonds1

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

5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole (PubChem CID 24783917) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole
PubChem CID24783917
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole
SMILESCc1cccnc1C#Cc1c(-c2ccccc2)noc1C
InChIInChI=1S/C18H14N2O/c1-13-7-6-12-19-17(13)11-10-16-14(2)21-20-18(16)15-8-4-3-5-9-15/h3-9,12H,1-2H3
InChIKeyUURIUVFSQADWIZ-UHFFFAOYSA-N
XLogP3.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.75
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

4-[2-(6-ethyl-2-pyridinyl)ethynyl]-5-methyl-3-phenyl-1,2-oxazole
CID 68974055
2-methyl-5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethynyl]-1,3-thiazole-4-carboxylic acid
CID 141190610
4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole
CID 23435665
1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
5-methyl-3-phenyl-4-(1-pyrimidin-2-ylimidazol-4-yl)-1,2-oxazole
CID 23725963
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole
CID 66643640
5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole
CID 22081680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole (CID 24783917) is 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole is Cc1cccnc1C#Cc1c(-c2ccccc2)noc1C.
What is the InChIKey of 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole?
The InChIKey is UURIUVFSQADWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-7-6-12-19-17(13)11-10-16-14(2)21-20-18(16)15-8-4-3-5-9-15/h3-9,12H,1-2H3.
What are the key properties of 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole?
5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole has a molecular weight of 274.32 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(3-methyl-2-pyridinyl)ethynyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 24783917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).