1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C16H23N5O2 — CID 90560943

IUPAC1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCC(C)c1nccn1CCN1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C16H23N5O2/c1-13(2)15-17-5-6-20(15)10-7-19-8-11-21(12-9-19)16(22)14-3-4-18-23-14/h3-6,13H,7-12H2,1-2H3
InChIKeyMDLXVEYVDINVAH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.45
Rot. Bonds5

About 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90560943) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90560943
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCC(C)c1nccn1CCN1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C16H23N5O2/c1-13(2)15-17-5-6-20(15)10-7-19-8-11-21(12-9-19)16(22)14-3-4-18-23-14/h3-6,13H,7-12H2,1-2H3
InChIKeyMDLXVEYVDINVAH-UHFFFAOYSA-N
XLogP1.45
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90560943) is 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is CC(C)c1nccn1CCN1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is MDLXVEYVDINVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-13(2)15-17-5-6-20(15)10-7-19-8-11-21(12-9-19)16(22)14-3-4-18-23-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90560943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).