[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C23H22N6O2 — CID 122342395

IUPAC[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C23H22N6O2/c1-17-24-21(27-9-5-6-10-27)16-22(25-17)28-11-13-29(14-12-28)23(30)19-15-20(31-26-19)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyJIGMCYNORDQLGX-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.19
Rot. Bonds4

About [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 122342395) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID122342395
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C23H22N6O2/c1-17-24-21(27-9-5-6-10-27)16-22(25-17)28-11-13-29(14-12-28)23(30)19-15-20(31-26-19)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyJIGMCYNORDQLGX-UHFFFAOYSA-N
XLogP3.19
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 122342481
[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 86949776
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122344455
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110619740
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342399
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122342360
(4-tert-butylphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342214
(4-methoxyphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342217
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122338506

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 122342395) is [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is Cc1nc(N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc(-n2cccc2)n1.
What is the InChIKey of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is JIGMCYNORDQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-17-24-21(27-9-5-6-10-27)16-22(25-17)28-11-13-29(14-12-28)23(30)19-15-20(31-26-19)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 414.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 122342395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).