5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole

C16H19N3OS — CID 56755102

IUPAC5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCCc1nccn1Cc1nc(-c2ccc(C)s2)oc1C
InChIInChI=1S/C16H19N3OS/c1-4-5-15-17-8-9-19(15)10-13-12(3)20-16(18-13)14-7-6-11(2)21-14/h6-9H,4-5,10H2,1-3H3
InChIKeyJHDXJSPURABUKU-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.22
Rot. Bonds5

About 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole

5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56755102) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56755102
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCCc1nccn1Cc1nc(-c2ccc(C)s2)oc1C
InChIInChI=1S/C16H19N3OS/c1-4-5-15-17-8-9-19(15)10-13-12(3)20-16(18-13)14-7-6-11(2)21-14/h6-9H,4-5,10H2,1-3H3
InChIKeyJHDXJSPURABUKU-UHFFFAOYSA-N
XLogP4.22
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole (CID 56755102) is 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole is CCCc1nccn1Cc1nc(-c2ccc(C)s2)oc1C.
What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is JHDXJSPURABUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-5-15-17-8-9-19(15)10-13-12(3)20-16(18-13)14-7-6-11(2)21-14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole?
5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 301.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylthiophen-2-yl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56755102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).