3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one

C17H25N5O2 — CID 90506359

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCN(c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C17H25N5O2/c1-11-15(14(4)24-20-11)5-6-16(23)21-7-9-22(10-8-21)17-12(2)18-19-13(17)3/h5-10H2,1-4H3,(H,18,19)
InChIKeyWHOQLQMYRJJKKA-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.91
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 90506359) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
PubChem CID90506359
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCN(c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C17H25N5O2/c1-11-15(14(4)24-20-11)5-6-16(23)21-7-9-22(10-8-21)17-12(2)18-19-13(17)3/h5-10H2,1-4H3,(H,18,19)
InChIKeyWHOQLQMYRJJKKA-UHFFFAOYSA-N
XLogP1.91
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
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CID 155880577
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1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 122345075
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one (CID 90506359) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CCN(c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is WHOQLQMYRJJKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-15(14(4)24-20-11)5-6-16(23)21-7-9-22(10-8-21)17-12(2)18-19-13(17)3/h5-10H2,1-4H3,(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 90506359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).