(4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C20H27N5O3 — CID 138013070

IUPAC(4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C(=O)C[C@H](C(=O)N2CCC(c3ncco3)CC2)[C@H]1c1nccn1CC
InChIInChI=1S/C20H27N5O3/c1-3-23-11-7-21-18(23)17-15(13-16(26)25(17)4-2)20(27)24-9-5-14(6-10-24)19-22-8-12-28-19/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3/t15-,17-/m0/s1
InChIKeyJGZUTEFNDVQVFL-RDJZCZTQSA-N
MW385.47 g/mol
LogP2.21
Rot. Bonds5

About (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 138013070) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID138013070
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name(4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C(=O)C[C@H](C(=O)N2CCC(c3ncco3)CC2)[C@H]1c1nccn1CC
InChIInChI=1S/C20H27N5O3/c1-3-23-11-7-21-18(23)17-15(13-16(26)25(17)4-2)20(27)24-9-5-14(6-10-24)19-22-8-12-28-19/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3/t15-,17-/m0/s1
InChIKeyJGZUTEFNDVQVFL-RDJZCZTQSA-N
XLogP2.21
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 138013070) is (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CCN1C(=O)C[C@H](C(=O)N2CCC(c3ncco3)CC2)[C@H]1c1nccn1CC.
What is the InChIKey of (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is JGZUTEFNDVQVFL-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-23-11-7-21-18(23)17-15(13-16(26)25(17)4-2)20(27)24-9-5-14(6-10-24)19-22-8-12-28-19/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 385.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-ethyl-5-(1-ethylimidazol-2-yl)-4-[4-(1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 138013070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).