[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium

C19H17ClN3OS2+ — CID 8801280

IUPAC[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium
SMILESClc1ccc(-c2noc(C[NH+](Cc3cccs3)Cc3cccs3)n2)cc1
InChIInChI=1S/C19H16ClN3OS2/c20-15-7-5-14(6-8-15)19-21-18(24-22-19)13-23(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2/p+1
InChIKeyJYQJVMSWJDPXOK-UHFFFAOYSA-O
MW402.95 g/mol
LogP4.30
Rot. Bonds7

About [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium (PubChem CID 8801280) has the molecular formula C19H17ClN3OS2+ and a molecular weight of 402.95 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium
PubChem CID8801280
Molecular FormulaC19H17ClN3OS2+
Molecular Weight402.95 g/mol
Exact Mass402.05
IUPAC Name[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium
SMILESClc1ccc(-c2noc(C[NH+](Cc3cccs3)Cc3cccs3)n2)cc1
InChIInChI=1S/C19H16ClN3OS2/c20-15-7-5-14(6-8-15)19-21-18(24-22-19)13-23(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2/p+1
InChIKeyJYQJVMSWJDPXOK-UHFFFAOYSA-O
XLogP4.30
TPSA43.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylpropanamide
CID 56791234
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 51219329
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 134033742
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868523
(1S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine
CID 8868524
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylthiophene-2-carboxamide
CID 6463980
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 46358436
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
CID 7385191
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 16779790

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium?
The IUPAC name of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium (CID 8801280) is [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium is Clc1ccc(-c2noc(C[NH+](Cc3cccs3)Cc3cccs3)n2)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium?
The InChIKey is JYQJVMSWJDPXOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16ClN3OS2/c20-15-7-5-14(6-8-15)19-21-18(24-22-19)13-23(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2/p+1.
What are the key properties of [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium?
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium has a molecular weight of 402.95 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-bis(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8801280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).