(5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone

C16H21N5O2 — CID 2812702

IUPAC(5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3cc(C)on3)CC2)nc1
InChIInChI=1S/C16H21N5O2/c1-3-4-13-10-17-16(18-11-13)21-7-5-20(6-8-21)15(22)14-9-12(2)23-19-14/h9-11H,3-8H2,1-2H3
InChIKeyNSZVFAGWJYIOAD-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.69
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 2812702) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID2812702
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3cc(C)on3)CC2)nc1
InChIInChI=1S/C16H21N5O2/c1-3-4-13-10-17-16(18-11-13)21-7-5-20(6-8-21)15(22)14-9-12(2)23-19-14/h9-11H,3-8H2,1-2H3
InChIKeyNSZVFAGWJYIOAD-UHFFFAOYSA-N
XLogP1.69
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone 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 (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 2812702) is (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is CCCc1cnc(N2CCN(C(=O)c3cc(C)on3)CC2)nc1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is NSZVFAGWJYIOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-4-13-10-17-16(18-11-13)21-7-5-20(6-8-21)15(22)14-9-12(2)23-19-14/h9-11H,3-8H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2812702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).