1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

C23H30N6O2 — CID 71875363

IUPAC1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
SMILESCC(C)(C)c1nc(CN2CCN(C(=O)CCc3cnn(-c4ccccc4)c3)CC2)no1
InChIInChI=1S/C23H30N6O2/c1-23(2,3)22-25-20(26-31-22)17-27-11-13-28(14-12-27)21(30)10-9-18-15-24-29(16-18)19-7-5-4-6-8-19/h4-8,15-16H,9-14,17H2,1-3H3
InChIKeyKENFTGURJIEZFS-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.83
Rot. Bonds6

About 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one (PubChem CID 71875363) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
PubChem CID71875363
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
SMILESCC(C)(C)c1nc(CN2CCN(C(=O)CCc3cnn(-c4ccccc4)c3)CC2)no1
InChIInChI=1S/C23H30N6O2/c1-23(2,3)22-25-20(26-31-22)17-27-11-13-28(14-12-27)21(30)10-9-18-15-24-29(16-18)19-7-5-4-6-8-19/h4-8,15-16H,9-14,17H2,1-3H3
InChIKeyKENFTGURJIEZFS-UHFFFAOYSA-N
XLogP2.83
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
tert-butyl 4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 31517544
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
CID 55567246
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 87011006
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 39570966
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 134020721
3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982846
3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537547
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
1-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 42692012
3-phenyl-1-[4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42692066

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one (CID 71875363) is 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one is CC(C)(C)c1nc(CN2CCN(C(=O)CCc3cnn(-c4ccccc4)c3)CC2)no1.
What is the InChIKey of 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one?
The InChIKey is KENFTGURJIEZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-23(2,3)22-25-20(26-31-22)17-27-11-13-28(14-12-27)21(30)10-9-18-15-24-29(16-18)19-7-5-4-6-8-19/h4-8,15-16H,9-14,17H2,1-3H3.
What are the key properties of 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one?
1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one has a molecular weight of 422.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 71875363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).