[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone

C17H22N4O4 — CID 95986872

IUPAC[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
SMILESCCc1ocnc1C(=O)N1CCN(C(=O)c2ncoc2CC)[C@@H](C)C1
InChIInChI=1S/C17H22N4O4/c1-4-12-14(18-9-24-12)16(22)20-6-7-21(11(3)8-20)17(23)15-13(5-2)25-10-19-15/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyANDQJYDMYBTZFX-NSHDSACASA-N
MW346.39 g/mol
LogP1.77
Rot. Bonds4

About [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone

[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone (PubChem CID 95986872) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
PubChem CID95986872
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
SMILESCCc1ocnc1C(=O)N1CCN(C(=O)c2ncoc2CC)[C@@H](C)C1
InChIInChI=1S/C17H22N4O4/c1-4-12-14(18-9-24-12)16(22)20-6-7-21(11(3)8-20)17(23)15-13(5-2)25-10-19-15/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyANDQJYDMYBTZFX-NSHDSACASA-N
XLogP1.77
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone (CID 95986872) is [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone is CCc1ocnc1C(=O)N1CCN(C(=O)c2ncoc2CC)[C@@H](C)C1.
What is the InChIKey of [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is ANDQJYDMYBTZFX-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N4O4/c1-4-12-14(18-9-24-12)16(22)20-6-7-21(11(3)8-20)17(23)15-13(5-2)25-10-19-15/h9-11H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone?
[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 346.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95986872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).