[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone

C19H20N4O2S — CID 17456192

IUPAC[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)c4ccsc4)CC3)n2)cc1
InChIInChI=1S/C19H20N4O2S/c1-14-2-4-15(5-3-14)18-20-17(25-21-18)12-22-7-9-23(10-8-22)19(24)16-6-11-26-13-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyRFKSJSMVYIEAJN-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.06
Rot. Bonds4

About [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone

[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 17456192) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID17456192
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)c4ccsc4)CC3)n2)cc1
InChIInChI=1S/C19H20N4O2S/c1-14-2-4-15(5-3-14)18-20-17(25-21-18)12-22-7-9-23(10-8-22)19(24)16-6-11-26-13-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyRFKSJSMVYIEAJN-UHFFFAOYSA-N
XLogP3.06
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-N-methyl-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 50925386
2-Phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
CID 1453697
N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thiophene-2-carboxamide
CID 2809467
1-{[3-(2-Thienyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinecarboxamide
CID 2811320
N-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-(2-thienylmethyl)methanamine
CID 16191033
N-methyl-1-(1-morpholin-4-ylcyclohexyl)-N-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 16191766
(S)-(4-fluorophenyl)(3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
CID 1457403
(4-Fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 3226279
[4-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]-(5-methylthiophen-2-yl)methanone
CID 16043330
[2-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 16124096
N-isopropyl-2-[(4-methylphenyl)thio]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2219800
N-methyl-N-{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(2-thienyl)ethanamine
CID 16191290

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 17456192) is [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone is Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccsc4)CC3)n2)cc1.
What is the InChIKey of [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is RFKSJSMVYIEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-2-4-15(5-3-14)18-20-17(25-21-18)12-22-7-9-23(10-8-22)19(24)16-6-11-26-13-16/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 368.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 17456192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).