(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione

C18H27N5O5 — CID 165426313

IUPAC(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
SMILESCOCCc1noc(CN2C(=O)CN(CCCN3CCCC3=O)C(=O)[C@@H]2C)n1
InChIInChI=1S/C18H27N5O5/c1-13-18(26)22(9-4-8-21-7-3-5-16(21)24)12-17(25)23(13)11-15-19-14(20-28-15)6-10-27-2/h13H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyGZCAIPTUHDRNPI-ZDUSSCGKSA-N
MW393.44 g/mol
LogP-0.17
Rot. Bonds9

About (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione

(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione (PubChem CID 165426313) has the molecular formula C18H27N5O5 and a molecular weight of 393.44 g/mol. Its IUPAC name is (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
PubChem CID165426313
Molecular FormulaC18H27N5O5
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC Name(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
SMILESCOCCc1noc(CN2C(=O)CN(CCCN3CCCC3=O)C(=O)[C@@H]2C)n1
InChIInChI=1S/C18H27N5O5/c1-13-18(26)22(9-4-8-21-7-3-5-16(21)24)12-17(25)23(13)11-15-19-14(20-28-15)6-10-27-2/h13H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyGZCAIPTUHDRNPI-ZDUSSCGKSA-N
XLogP-0.17
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423623
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 97146889
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 165418936
(3R)-1-benzyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazine-2,5-dione
CID 166620960
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424938
(3S)-3-methyl-4-[(3-methylphenyl)methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165423646
(3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 164698761
(3S)-4-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165425264
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 71823742
(6S)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868323
(6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868324
(3S)-1-[(2-chlorophenyl)methyl]-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperazine-2,5-dione
CID 165425954

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione?
The IUPAC name of (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione (CID 165426313) is (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione is COCCc1noc(CN2C(=O)CN(CCCN3CCCC3=O)C(=O)[C@@H]2C)n1.
What is the InChIKey of (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione?
The InChIKey is GZCAIPTUHDRNPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N5O5/c1-13-18(26)22(9-4-8-21-7-3-5-16(21)24)12-17(25)23(13)11-15-19-14(20-28-15)6-10-27-2/h13H,3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione?
(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione has a molecular weight of 393.44 g/mol, XLogP of -0.17, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 165426313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).