(3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one

C16H21N3O3 — CID 31134214

IUPAC(3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one
SMILESCCN1CCN(Cc2nc(-c3ccoc3)oc2C)[C@@H](C)C1=O
InChIInChI=1S/C16H21N3O3/c1-4-18-6-7-19(11(2)16(18)20)9-14-12(3)22-15(17-14)13-5-8-21-10-13/h5,8,10-11H,4,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyJCZWNEBNNBTJJT-NSHDSACASA-N
MW303.36 g/mol
LogP2.30
Rot. Bonds4

About (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one

(3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one (PubChem CID 31134214) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one
PubChem CID31134214
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one
SMILESCCN1CCN(Cc2nc(-c3ccoc3)oc2C)[C@@H](C)C1=O
InChIInChI=1S/C16H21N3O3/c1-4-18-6-7-19(11(2)16(18)20)9-14-12(3)22-15(17-14)13-5-8-21-10-13/h5,8,10-11H,4,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyJCZWNEBNNBTJJT-NSHDSACASA-N
XLogP2.30
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one?
The IUPAC name of (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one (CID 31134214) is (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one is CCN1CCN(Cc2nc(-c3ccoc3)oc2C)[C@@H](C)C1=O.
What is the InChIKey of (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one?
The InChIKey is JCZWNEBNNBTJJT-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-18-6-7-19(11(2)16(18)20)9-14-12(3)22-15(17-14)13-5-8-21-10-13/h5,8,10-11H,4,6-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one?
(3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 31134214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).