5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole

C17H26N4O2 — CID 71851953

IUPAC5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESCCCC1CN(Cc2ncc(C)o2)CCN1Cc1ncc(C)o1
InChIInChI=1S/C17H26N4O2/c1-4-5-15-10-20(11-16-18-8-13(2)22-16)6-7-21(15)12-17-19-9-14(3)23-17/h8-9,15H,4-7,10-12H2,1-3H3
InChIKeyYFPPCIJZQUXSAD-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.77
Rot. Bonds6

About 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole

5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 71851953) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole
PubChem CID71851953
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESCCCC1CN(Cc2ncc(C)o2)CCN1Cc1ncc(C)o1
InChIInChI=1S/C17H26N4O2/c1-4-5-15-10-20(11-16-18-8-13(2)22-16)6-7-21(15)12-17-19-9-14(3)23-17/h8-9,15H,4-7,10-12H2,1-3H3
InChIKeyYFPPCIJZQUXSAD-UHFFFAOYSA-N
XLogP2.77
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole (CID 71851953) is 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole is CCCC1CN(Cc2ncc(C)o2)CCN1Cc1ncc(C)o1.
What is the InChIKey of 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is YFPPCIJZQUXSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-5-15-10-20(11-16-18-8-13(2)22-16)6-7-21(15)12-17-19-9-14(3)23-17/h8-9,15H,4-7,10-12H2,1-3H3.
What are the key properties of 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 318.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpiperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 71851953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).