4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one

C17H17N5O3 — CID 95801064

IUPAC4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one
SMILESCc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccc(C)o2)on1
InChIInChI=1S/C17H17N5O3/c1-10-7-14(25-21-10)12-8-19-17(22-6-5-18-15(23)9-22)20-16(12)13-4-3-11(2)24-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,23)
InChIKeyCOQQMOGSYCZCMX-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.94
Rot. Bonds3

About 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one

4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one (PubChem CID 95801064) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one
PubChem CID95801064
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one
SMILESCc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccc(C)o2)on1
InChIInChI=1S/C17H17N5O3/c1-10-7-14(25-21-10)12-8-19-17(22-6-5-18-15(23)9-22)20-16(12)13-4-3-11(2)24-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,23)
InChIKeyCOQQMOGSYCZCMX-UHFFFAOYSA-N
XLogP1.94
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one?
The IUPAC name of 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one (CID 95801064) is 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one is Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccc(C)o2)on1.
What is the InChIKey of 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one?
The InChIKey is COQQMOGSYCZCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-7-14(25-21-10)12-8-19-17(22-6-5-18-15(23)9-22)20-16(12)13-4-3-11(2)24-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,23).
What are the key properties of 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one?
4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one has a molecular weight of 339.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 95801064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).