(5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

C21H23N5O3S — CID 97317998

IUPAC(5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CN1c1ccccc1
InChIInChI=1S/C21H23N5O3S/c27-21-26(16-5-2-1-3-6-16)14-17(28-21)13-24-8-10-25(11-9-24)15-19-22-20(23-29-19)18-7-4-12-30-18/h1-7,12,17H,8-11,13-15H2/t17-/m0/s1
InChIKeyZJMVDZYMWVDHEI-KRWDZBQOSA-N
MW425.51 g/mol
LogP2.94
Rot. Bonds6

About (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

(5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 97317998) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID97317998
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name(5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CN1c1ccccc1
InChIInChI=1S/C21H23N5O3S/c27-21-26(16-5-2-1-3-6-16)14-17(28-21)13-24-8-10-25(11-9-24)15-19-22-20(23-29-19)18-7-4-12-30-18/h1-7,12,17H,8-11,13-15H2/t17-/m0/s1
InChIKeyZJMVDZYMWVDHEI-KRWDZBQOSA-N
XLogP2.94
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-phenyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,3-dione
CID 167997716
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 38125111
(5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55790775
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
(2-aminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119946361
5-[[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78836560
(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 36669511
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607
3-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione
CID 55500940
(3S)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one
CID 30387572

Frequently Asked Questions

What is the IUPAC name of (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 97317998) is (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CN1c1ccccc1.
What is the InChIKey of (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZJMVDZYMWVDHEI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5O3S/c27-21-26(16-5-2-1-3-6-16)14-17(28-21)13-24-8-10-25(11-9-24)15-19-22-20(23-29-19)18-7-4-12-30-18/h1-7,12,17H,8-11,13-15H2/t17-/m0/s1.
What are the key properties of (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
(5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 425.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97317998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).