3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C16H23N5O2 — CID 56796690

IUPAC3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCN(C(C)c3nc(C4CC4)no3)CC2)no1
InChIInChI=1S/C16H23N5O2/c1-11-9-14(18-22-11)10-20-5-7-21(8-6-20)12(2)16-17-15(19-23-16)13-3-4-13/h9,12-13H,3-8,10H2,1-2H3
InChIKeyZNPSDOYCPXAXQC-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.12
Rot. Bonds5

About 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 56796690) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID56796690
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCN(C(C)c3nc(C4CC4)no3)CC2)no1
InChIInChI=1S/C16H23N5O2/c1-11-9-14(18-22-11)10-20-5-7-21(8-6-20)12(2)16-17-15(19-23-16)13-3-4-13/h9,12-13H,3-8,10H2,1-2H3
InChIKeyZNPSDOYCPXAXQC-UHFFFAOYSA-N
XLogP2.12
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 56796690) is 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1cc(CN2CCN(C(C)c3nc(C4CC4)no3)CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is ZNPSDOYCPXAXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-9-14(18-22-11)10-20-5-7-21(8-6-20)12(2)16-17-15(19-23-16)13-3-4-13/h9,12-13H,3-8,10H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 317.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56796690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).