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

C18H21N5OS — CID 31193569

IUPAC5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1ccsc1-c1nc(CN2CCN(c3cnccn3)CC2)c(C)o1
InChIInChI=1S/C18H21N5OS/c1-13-3-10-25-17(13)18-21-15(14(2)24-18)12-22-6-8-23(9-7-22)16-11-19-4-5-20-16/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyIEEQUGAWDUBYPY-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.13
Rot. Bonds4

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

5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 31193569) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID31193569
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1ccsc1-c1nc(CN2CCN(c3cnccn3)CC2)c(C)o1
InChIInChI=1S/C18H21N5OS/c1-13-3-10-25-17(13)18-21-15(14(2)24-18)12-22-6-8-23(9-7-22)16-11-19-4-5-20-16/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyIEEQUGAWDUBYPY-UHFFFAOYSA-N
XLogP3.13
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42462882
4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 29026134
[1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 45207551
(3S,4S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-4-propan-2-yloxypyrrolidin-3-ol
CID 56865363
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
(1R,5S)-8-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 56740850
4-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole
CID 56752653
5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 30750607
[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516668
[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670
7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 18167928
2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine
CID 143263223

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 31193569) is 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1ccsc1-c1nc(CN2CCN(c3cnccn3)CC2)c(C)o1.
What is the InChIKey of 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is IEEQUGAWDUBYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13-3-10-25-17(13)18-21-15(14(2)24-18)12-22-6-8-23(9-7-22)16-11-19-4-5-20-16/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 355.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 31193569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).