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

C16H23N5O2 — CID 56799597

IUPAC3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C16H23N5O2/c1-11-14(12(2)22-18-11)9-20-5-7-21(8-6-20)10-15-17-16(19-23-15)13-3-4-13/h13H,3-10H2,1-2H3
InChIKeyNHSMGABLWRCIAJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.87
Rot. Bonds5

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

3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56799597) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56799597
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C16H23N5O2/c1-11-14(12(2)22-18-11)9-20-5-7-21(8-6-20)10-15-17-16(19-23-15)13-3-4-13/h13H,3-10H2,1-2H3
InChIKeyNHSMGABLWRCIAJ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 56799597) is 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1noc(C)c1CN1CCN(Cc2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is NHSMGABLWRCIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-14(12(2)22-18-11)9-20-5-7-21(8-6-20)10-15-17-16(19-23-15)13-3-4-13/h13H,3-10H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 317.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56799597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).