ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride

C16H19Cl2N4O3- — CID 53352461

IUPACethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
SMILESCCOC(=O)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1.[Cl-]
InChIInChI=1S/C16H19ClN4O3.ClH/c1-2-23-16(22)21-9-7-20(8-10-21)11-14-18-19-15(24-14)12-5-3-4-6-13(12)17;/h3-6H,2,7-11H2,1H3;1H/p-1
InChIKeyYTHCZQBTOPLOLE-UHFFFAOYSA-M
MW386.26 g/mol
LogP-0.33
Rot. Bonds4

About ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride

ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride (PubChem CID 53352461) has the molecular formula C16H19Cl2N4O3- and a molecular weight of 386.26 g/mol. Its IUPAC name is ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride.

Molecular Properties

Compound Nameethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
PubChem CID53352461
Molecular FormulaC16H19Cl2N4O3-
Molecular Weight386.26 g/mol
Exact Mass385.08
IUPAC Nameethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
SMILESCCOC(=O)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1.[Cl-]
InChIInChI=1S/C16H19ClN4O3.ClH/c1-2-23-16(22)21-9-7-20(8-10-21)11-14-18-19-15(24-14)12-5-3-4-6-13(12)17;/h3-6H,2,7-11H2,1H3;1H/p-1
InChIKeyYTHCZQBTOPLOLE-UHFFFAOYSA-M
XLogP-0.33
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 26495651
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34834678
(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 55739837
2-(2-chlorophenyl)-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 27128804
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885
[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 55409921
2-(2-chlorophenyl)-5-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 36840734
2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17409652
ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 155980533
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
CID 78761992

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride?
The IUPAC name of ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride (CID 53352461) is ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride.
What is the SMILES notation for ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride?
The canonical SMILES for ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride is CCOC(=O)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1.[Cl-].
What is the InChIKey of ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride?
The InChIKey is YTHCZQBTOPLOLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19ClN4O3.ClH/c1-2-23-16(22)21-9-7-20(8-10-21)11-14-18-19-15(24-14)12-5-3-4-6-13(12)17;/h3-6H,2,7-11H2,1H3;1H/p-1.
What are the key properties of ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride?
ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride has a molecular weight of 386.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride is sourced from PubChem (CID 53352461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).