3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole

C15H22N4O2 — CID 71851954

IUPAC3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCCCC1CN(Cc2ccon2)CCN1Cc1ccon1
InChIInChI=1S/C15H22N4O2/c1-2-3-15-12-18(10-13-4-8-20-16-13)6-7-19(15)11-14-5-9-21-17-14/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3
InChIKeyUAXUOSLLEOLFKK-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.15
Rot. Bonds6

About 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole

3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 71851954) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole
PubChem CID71851954
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCCCC1CN(Cc2ccon2)CCN1Cc1ccon1
InChIInChI=1S/C15H22N4O2/c1-2-3-15-12-18(10-13-4-8-20-16-13)6-7-19(15)11-14-5-9-21-17-14/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3
InChIKeyUAXUOSLLEOLFKK-UHFFFAOYSA-N
XLogP2.15
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole (CID 71851954) is 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole is CCCC1CN(Cc2ccon2)CCN1Cc1ccon1.
What is the InChIKey of 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is UAXUOSLLEOLFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-3-15-12-18(10-13-4-8-20-16-13)6-7-19(15)11-14-5-9-21-17-14/h4-5,8-9,15H,2-3,6-7,10-12H2,1H3.
What are the key properties of 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole?
3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 290.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,2-oxazol-3-ylmethyl)-2-propylpiperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 71851954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).