5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

C14H18ClN5O — CID 95587278

IUPAC5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C14H18ClN5O/c1-10(14-17-11(2)18-21-14)19-5-7-20(8-6-19)13-4-3-12(15)9-16-13/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyBYZIQLSXRPVMDV-SNVBAGLBSA-N
MW307.79 g/mol
LogP2.31
Rot. Bonds3

About 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95587278) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID95587278
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C14H18ClN5O/c1-10(14-17-11(2)18-21-14)19-5-7-20(8-6-19)13-4-3-12(15)9-16-13/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyBYZIQLSXRPVMDV-SNVBAGLBSA-N
XLogP2.31
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 95587278) is 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@@H](C)N2CCN(c3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is BYZIQLSXRPVMDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-10(14-17-11(2)18-21-14)19-5-7-20(8-6-19)13-4-3-12(15)9-16-13/h3-4,9-10H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 307.79 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95587278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).