4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide

C22H26N6O2 — CID 46230615

IUPAC4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)NC(C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H26N6O2/c1-16(15-27-11-13-28(14-12-27)22-23-9-6-10-24-22)25-20(29)19-17(2)26-21(30-19)18-7-4-3-5-8-18/h3-10,16H,11-15H2,1-2H3,(H,25,29)
InChIKeyDANINDGGUCIDLY-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.38
Rot. Bonds6

About 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide

4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 46230615) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
PubChem CID46230615
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)NC(C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H26N6O2/c1-16(15-27-11-13-28(14-12-27)22-23-9-6-10-24-22)25-20(29)19-17(2)26-21(30-19)18-7-4-3-5-8-18/h3-10,16H,11-15H2,1-2H3,(H,25,29)
InChIKeyDANINDGGUCIDLY-UHFFFAOYSA-N
XLogP2.38
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (CID 46230615) is 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)oc1C(=O)NC(C)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is DANINDGGUCIDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16(15-27-11-13-28(14-12-27)22-23-9-6-10-24-22)25-20(29)19-17(2)26-21(30-19)18-7-4-3-5-8-18/h3-10,16H,11-15H2,1-2H3,(H,25,29).
What are the key properties of 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46230615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).