2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

C16H21ClN4O — CID 51108336

IUPAC2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C16H21ClN4O/c1-12(2)16-19-18-15(22-16)11-20-6-8-21(9-7-20)14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyGWPLQWLMAAGBBW-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.17
Rot. Bonds4

About 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 51108336) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID51108336
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C16H21ClN4O/c1-12(2)16-19-18-15(22-16)11-20-6-8-21(9-7-20)14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyGWPLQWLMAAGBBW-UHFFFAOYSA-N
XLogP3.17
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393
2-(3-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432336
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 134056304
4-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 136563742
2-[[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 71848166
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395871
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089588
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 51108336) is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCN(c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is GWPLQWLMAAGBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-12(2)16-19-18-15(22-16)11-20-6-8-21(9-7-20)14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 320.82 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51108336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).