1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one

C23H28N6O2 — CID 38711801

IUPAC1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1cc(N2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)nc(C(C)C)n1
InChIInChI=1S/C23H28N6O2/c1-16(2)22-24-17(3)15-19(25-22)28-11-13-29(14-12-28)21(30)10-9-20-26-27-23(31-20)18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3
InChIKeyYHXZGXVGPPSIHT-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.24
Rot. Bonds6

About 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 38711801) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID38711801
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1cc(N2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)nc(C(C)C)n1
InChIInChI=1S/C23H28N6O2/c1-16(2)22-24-17(3)15-19(25-22)28-11-13-29(14-12-28)21(30)10-9-20-26-27-23(31-20)18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3
InChIKeyYHXZGXVGPPSIHT-UHFFFAOYSA-N
XLogP3.24
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one with MolForge

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Related Compounds

1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31669631
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
3-(furan-2-yl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 38711618
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 29482281
3-(4-ethylphenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 38711927
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55876605
4-(methylamino)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837026
4-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperazine-1-carbaldehyde
CID 110334291
1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86905277

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 38711801) is 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is Cc1cc(N2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)nc(C(C)C)n1.
What is the InChIKey of 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is YHXZGXVGPPSIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16(2)22-24-17(3)15-19(25-22)28-11-13-29(14-12-28)21(30)10-9-20-26-27-23(31-20)18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 420.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 38711801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).