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

C18H21N5OS — CID 95799411

IUPAC3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCN(C)CC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C18H21N5OS/c1-12-10-15(24-21-12)14-11-19-18(23-8-6-22(3)7-9-23)20-17(14)16-5-4-13(2)25-16/h4-5,10-11H,6-9H2,1-3H3
InChIKeyJHJPHBCEYZUOOV-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.23
Rot. Bonds3

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

3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole (PubChem CID 95799411) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole
PubChem CID95799411
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCN(C)CC3)nc2-c2ccc(C)s2)on1
InChIInChI=1S/C18H21N5OS/c1-12-10-15(24-21-12)14-11-19-18(23-8-6-22(3)7-9-23)20-17(14)16-5-4-13(2)25-16/h4-5,10-11H,6-9H2,1-3H3
InChIKeyJHJPHBCEYZUOOV-UHFFFAOYSA-N
XLogP3.23
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole (CID 95799411) is 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole is Cc1cc(-c2cnc(N3CCN(C)CC3)nc2-c2ccc(C)s2)on1.
What is the InChIKey of 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole?
The InChIKey is JHJPHBCEYZUOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-10-15(24-21-12)14-11-19-18(23-8-6-22(3)7-9-23)20-17(14)16-5-4-13(2)25-16/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole?
3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole has a molecular weight of 355.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(4-methylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-1,2-oxazole is sourced from PubChem (CID 95799411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).