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

C19H23N5OS — CID 95799412

IUPAC5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)s3)n2)CC1
InChIInChI=1S/C19H23N5OS/c1-4-23-7-9-24(10-8-23)19-20-12-15(16-11-13(2)22-25-16)18(21-19)17-6-5-14(3)26-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyYRHOHSUMEDFPJA-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.62
Rot. Bonds4

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

5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 95799412) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID95799412
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)s3)n2)CC1
InChIInChI=1S/C19H23N5OS/c1-4-23-7-9-24(10-8-23)19-20-12-15(16-11-13(2)22-25-16)18(21-19)17-6-5-14(3)26-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyYRHOHSUMEDFPJA-UHFFFAOYSA-N
XLogP3.62
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 95799412) is 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole is CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)s3)n2)CC1.
What is the InChIKey of 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is YRHOHSUMEDFPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-4-23-7-9-24(10-8-23)19-20-12-15(16-11-13(2)22-25-16)18(21-19)17-6-5-14(3)26-17/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 369.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95799412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).