[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C17H25N5O2 — CID 129340807

IUPAC[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C(C)C)on2)C[C@@H]1c1nccn1C
InChIInChI=1S/C17H25N5O2/c1-5-21-8-9-22(11-14(21)16-18-6-7-20(16)4)17(23)13-10-15(12(2)3)24-19-13/h6-7,10,12,14H,5,8-9,11H2,1-4H3/t14-/m1/s1
InChIKeyXWKLVRZIDYEHNK-CQSZACIVSA-N
MW331.42 g/mol
LogP2.05
Rot. Bonds4

About [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 129340807) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID129340807
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C(C)C)on2)C[C@@H]1c1nccn1C
InChIInChI=1S/C17H25N5O2/c1-5-21-8-9-22(11-14(21)16-18-6-7-20(16)4)17(23)13-10-15(12(2)3)24-19-13/h6-7,10,12,14H,5,8-9,11H2,1-4H3/t14-/m1/s1
InChIKeyXWKLVRZIDYEHNK-CQSZACIVSA-N
XLogP2.05
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129328537
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 128971897
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 129007005
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 129340807) is [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CCN1CCN(C(=O)c2cc(C(C)C)on2)C[C@@H]1c1nccn1C.
What is the InChIKey of [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is XWKLVRZIDYEHNK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-21-8-9-22(11-14(21)16-18-6-7-20(16)4)17(23)13-10-15(12(2)3)24-19-13/h6-7,10,12,14H,5,8-9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 129340807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).