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

C22H25N5O2 — CID 2812701

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)nc1
InChIInChI=1S/C22H25N5O2/c1-3-7-17-14-23-22(24-15-17)27-12-10-26(11-13-27)21(28)19-16(2)29-25-20(19)18-8-5-4-6-9-18/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3
InChIKeyHPUBGISKGDSGQH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.35
Rot. Bonds5

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

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 2812701) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID2812701
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCCc1cnc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)nc1
InChIInChI=1S/C22H25N5O2/c1-3-7-17-14-23-22(24-15-17)27-12-10-26(11-13-27)21(28)19-16(2)29-25-20(19)18-8-5-4-6-9-18/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3
InChIKeyHPUBGISKGDSGQH-UHFFFAOYSA-N
XLogP3.35
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 2812701) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is CCCc1cnc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)nc1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is HPUBGISKGDSGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-7-17-14-23-22(24-15-17)27-12-10-26(11-13-27)21(28)19-16(2)29-25-20(19)18-8-5-4-6-9-18/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2812701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).