(3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one

C16H17FN4O3S — CID 28634897

IUPAC(3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one
SMILESCCc1nnc(SCC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)o1
InChIInChI=1S/C16H17FN4O3S/c1-2-12-19-20-16(24-12)25-9-13(22)21-8-7-18-15(23)14(21)10-3-5-11(17)6-4-10/h3-6,14H,2,7-9H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyQBLIYDZVELJVDL-CQSZACIVSA-N
MW364.40 g/mol
LogP1.56
Rot. Bonds5

About (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one

(3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 28634897) has the molecular formula C16H17FN4O3S and a molecular weight of 364.40 g/mol. Its IUPAC name is (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one
PubChem CID28634897
Molecular FormulaC16H17FN4O3S
Molecular Weight364.40 g/mol
Exact Mass364.10
IUPAC Name(3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one
SMILESCCc1nnc(SCC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)o1
InChIInChI=1S/C16H17FN4O3S/c1-2-12-19-20-16(24-12)25-9-13(22)21-8-7-18-15(23)14(21)10-3-5-11(17)6-4-10/h3-6,14H,2,7-9H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyQBLIYDZVELJVDL-CQSZACIVSA-N
XLogP1.56
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one (CID 28634897) is (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one is CCc1nnc(SCC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)o1.
What is the InChIKey of (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is QBLIYDZVELJVDL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17FN4O3S/c1-2-12-19-20-16(24-12)25-9-13(22)21-8-7-18-15(23)14(21)10-3-5-11(17)6-4-10/h3-6,14H,2,7-9H2,1H3,(H,18,23)/t14-/m1/s1.
What are the key properties of (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one?
(3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 364.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 28634897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).