2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole

C12H19N3O2 — CID 82510860

IUPAC2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESc1oc(C2CCOC2)nc1CN1CCNCC1
InChIInChI=1S/C12H19N3O2/c1-6-16-8-10(1)12-14-11(9-17-12)7-15-4-2-13-3-5-15/h9-10,13H,1-8H2
InChIKeyMPJPCFWETFFJLC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.58
Rot. Bonds3

About 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole

2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole (PubChem CID 82510860) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
PubChem CID82510860
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESc1oc(C2CCOC2)nc1CN1CCNCC1
InChIInChI=1S/C12H19N3O2/c1-6-16-8-10(1)12-14-11(9-17-12)7-15-4-2-13-3-5-15/h9-10,13H,1-8H2
InChIKeyMPJPCFWETFFJLC-UHFFFAOYSA-N
XLogP0.58
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole (CID 82510860) is 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole is c1oc(C2CCOC2)nc1CN1CCNCC1.
What is the InChIKey of 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The InChIKey is MPJPCFWETFFJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-6-16-8-10(1)12-14-11(9-17-12)7-15-4-2-13-3-5-15/h9-10,13H,1-8H2.
What are the key properties of 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole?
2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole has a molecular weight of 237.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-4-(piperazin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 82510860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).