[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

C14H19N5O2 — CID 129330127

IUPAC[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2ncoc2C)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H19N5O2/c1-3-18-6-7-19(8-11(18)13-15-4-5-16-13)14(20)12-10(2)21-9-17-12/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyHMPLGUZKPSCSFP-NSHDSACASA-N
MW289.34 g/mol
LogP1.23
Rot. Bonds3

About [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 129330127) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
PubChem CID129330127
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2ncoc2C)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H19N5O2/c1-3-18-6-7-19(8-11(18)13-15-4-5-16-13)14(20)12-10(2)21-9-17-12/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyHMPLGUZKPSCSFP-NSHDSACASA-N
XLogP1.23
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
[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
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 128974600
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
3-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 167822537
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 128966110
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 128994735
(2,3-difluorophenyl)-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129332514

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (CID 129330127) is [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is CCN1CCN(C(=O)c2ncoc2C)C[C@H]1c1ncc[nH]1.
What is the InChIKey of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is HMPLGUZKPSCSFP-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-18-6-7-19(8-11(18)13-15-4-5-16-13)14(20)12-10(2)21-9-17-12/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 289.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 129330127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).