2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine

C14H18ClN5O — CID 106966850

IUPAC2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C14H18ClN5O/c15-11-2-1-3-12(10-11)19-6-8-20(9-7-19)14-18-17-13(21-14)4-5-16/h1-3,10H,4-9,16H2
InChIKeyNRPVLRVOGAZISZ-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.55
Rot. Bonds4

About 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106966850) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106966850
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C14H18ClN5O/c15-11-2-1-3-12(10-11)19-6-8-20(9-7-19)14-18-17-13(21-14)4-5-16/h1-3,10H,4-9,16H2
InChIKeyNRPVLRVOGAZISZ-UHFFFAOYSA-N
XLogP1.55
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 106969607
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
1-(3-chlorophenyl)azonane
CID 145391535
3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110610756
2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole
CID 106959086
2-[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106959975
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
[5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 62424244
2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 83971734
2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960391

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 106966850) is 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(N2CCN(c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is NRPVLRVOGAZISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c15-11-2-1-3-12(10-11)19-6-8-20(9-7-19)14-18-17-13(21-14)4-5-16/h1-3,10H,4-9,16H2.
What are the key properties of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 307.79 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106966850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).