N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide

C18H25N5O2S — CID 31688514

IUPACN-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H25N5O2S/c1-2-7-19-16(24)14-23-11-9-22(10-12-23)8-3-6-17-20-18(21-25-17)15-5-4-13-26-15/h2,4-5,13H,1,3,6-12,14H2,(H,19,24)
InChIKeyFWMMCPLLDADAJR-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.65
Rot. Bonds9

About N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide

N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide (PubChem CID 31688514) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
PubChem CID31688514
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H25N5O2S/c1-2-7-19-16(24)14-23-11-9-22(10-12-23)8-3-6-17-20-18(21-25-17)15-5-4-13-26-15/h2,4-5,13H,1,3,6-12,14H2,(H,19,24)
InChIKeyFWMMCPLLDADAJR-UHFFFAOYSA-N
XLogP1.65
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
CID 55432348
(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
N-(2-morpholin-4-ylethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 39717880
N-methyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 35318189
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
N-[3-oxo-3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55447156
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
N-[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]benzamide
CID 33107633
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
CID 55446960
(4-methylsulfinylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78826694
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 86986082
N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 134045410

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide (CID 31688514) is N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide is C=CCNC(=O)CN1CCN(CCCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide?
The InChIKey is FWMMCPLLDADAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-2-7-19-16(24)14-23-11-9-22(10-12-23)8-3-6-17-20-18(21-25-17)15-5-4-13-26-15/h2,4-5,13H,1,3,6-12,14H2,(H,19,24).
What are the key properties of N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide?
N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31688514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).