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

C12H14ClN5O — CID 103436524

IUPAC5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(N2CCN(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C12H14ClN5O/c13-9-1-3-10(4-2-9)17-5-7-18(8-6-17)12-16-15-11(14)19-12/h1-4H,5-8H2,(H2,14,15)
InChIKeyQDOJUMYWNMBETO-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.63
Rot. Bonds2

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

5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 103436524) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine
PubChem CID103436524
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(N2CCN(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C12H14ClN5O/c13-9-1-3-10(4-2-9)17-5-7-18(8-6-17)12-16-15-11(14)19-12/h1-4H,5-8H2,(H2,14,15)
InChIKeyQDOJUMYWNMBETO-UHFFFAOYSA-N
XLogP1.63
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine (CID 103436524) is 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(N2CCN(c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QDOJUMYWNMBETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-9-1-3-10(4-2-9)17-5-7-18(8-6-17)12-16-15-11(14)19-12/h1-4H,5-8H2,(H2,14,15).
What are the key properties of 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine?
5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 279.73 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 103436524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).