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

C17H21N5O3 — CID 56799598

IUPAC5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCN(Cc2nc(-c3ccco3)no2)CC1
InChIInChI=1S/C17H21N5O3/c1-12-14(13(2)24-19-12)10-21-5-7-22(8-6-21)11-16-18-17(20-25-16)15-4-3-9-23-15/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyVNZGZIKPLYXINT-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.25
Rot. Bonds5

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

5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 56799598) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID56799598
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCN(Cc2nc(-c3ccco3)no2)CC1
InChIInChI=1S/C17H21N5O3/c1-12-14(13(2)24-19-12)10-21-5-7-22(8-6-21)11-16-18-17(20-25-16)15-4-3-9-23-15/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyVNZGZIKPLYXINT-UHFFFAOYSA-N
XLogP2.25
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 56799598) is 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole is Cc1noc(C)c1CN1CCN(Cc2nc(-c3ccco3)no2)CC1.
What is the InChIKey of 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is VNZGZIKPLYXINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-14(13(2)24-19-12)10-21-5-7-22(8-6-21)11-16-18-17(20-25-16)15-4-3-9-23-15/h3-4,9H,5-8,10-11H2,1-2H3.
What are the key properties of 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 343.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 56799598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).