5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C20H18N2O4 — CID 24761352

IUPAC5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2noc(C)c2C#Cc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O4/c1-13-16(9-8-15-7-5-6-10-21-15)19(22-26-13)14-11-17(23-2)20(25-4)18(12-14)24-3/h5-7,10-12H,1-4H3
InChIKeyNWDOJCDSZHOIRR-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.47
Rot. Bonds4

About 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 24761352) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID24761352
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2noc(C)c2C#Cc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O4/c1-13-16(9-8-15-7-5-6-10-21-15)19(22-26-13)14-11-17(23-2)20(25-4)18(12-14)24-3/h5-7,10-12H,1-4H3
InChIKeyNWDOJCDSZHOIRR-UHFFFAOYSA-N
XLogP3.47
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-Methoxy-3-pyridinyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 24761350
(7-Methoxy-2-methylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 52951491
Methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate
CID 2421557
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3239565
3-[2-Methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanenitrile
CID 4617076
N,N-dimethyl-5-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]pyridin-2-amine
CID 24761242
4-(1H-indol-5-yl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 24761250
3-(1,3-Benzodioxol-5-yl)-4-(6-methoxy-3-pyridinyl)-5-methyl-1,2-oxazole
CID 24761353
[6-Methoxy-1-(4-nitrophenyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45269594
Tubulin polymerization-IN-37
CID 60148288
(1-Phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 118708617
[1-(3-Methylphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708641

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 24761352) is 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(-c2noc(C)c2C#Cc2ccccn2)cc(OC)c1OC.
What is the InChIKey of 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is NWDOJCDSZHOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-16(9-8-15-7-5-6-10-21-15)19(22-26-13)14-11-17(23-2)20(25-4)18(12-14)24-3/h5-7,10-12H,1-4H3.
What are the key properties of 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 350.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-pyridin-2-ylethynyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 24761352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).