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

C17H25N5O2 — CID 52907324

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H25N5O2/c1-14-16(15(2)24-19-14)4-5-17(23)21-11-8-20(9-12-21)10-13-22-7-3-6-18-22/h3,6-7H,4-5,8-13H2,1-2H3
InChIKeySJXLEVQQQUFBHI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.26
Rot. Bonds6

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 52907324) 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-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID52907324
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H25N5O2/c1-14-16(15(2)24-19-14)4-5-17(23)21-11-8-20(9-12-21)10-13-22-7-3-6-18-22/h3,6-7H,4-5,8-13H2,1-2H3
InChIKeySJXLEVQQQUFBHI-UHFFFAOYSA-N
XLogP1.26
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one (CID 52907324) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is SJXLEVQQQUFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-14-16(15(2)24-19-14)4-5-17(23)21-11-8-20(9-12-21)10-13-22-7-3-6-18-22/h3,6-7H,4-5,8-13H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 52907324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).