(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C17H19N7O2 — CID 122337262

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C17H19N7O2/c1-12-16(13(2)26-21-12)17(25)23-8-6-22(7-9-23)14-10-15(19-11-18-14)24-5-3-4-20-24/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFLPHSLKATATJJS-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.23
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122337262) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122337262
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C17H19N7O2/c1-12-16(13(2)26-21-12)17(25)23-8-6-22(7-9-23)14-10-15(19-11-18-14)24-5-3-4-20-24/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFLPHSLKATATJJS-UHFFFAOYSA-N
XLogP1.23
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342013
1,2-oxazol-5-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337194
(3,4-dimethylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700193
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
N-(4-methylphenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001582
(4-bromophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699707
(4-chlorophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700276
(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 30867934
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340830
[3-(dimethylamino)phenyl]-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337249

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122337262) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is FLPHSLKATATJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-12-16(13(2)26-21-12)17(25)23-8-6-22(7-9-23)14-10-15(19-11-18-14)24-5-3-4-20-24/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 353.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122337262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).