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

C17H30N4O — CID 75374945

IUPAC5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCCCN1CCN(C2CCN(Cc3ncc(C)o3)CC2)CC1
InChIInChI=1S/C17H30N4O/c1-3-6-19-9-11-21(12-10-19)16-4-7-20(8-5-16)14-17-18-13-15(2)22-17/h13,16H,3-12,14H2,1-2H3
InChIKeyRNHUFSWHVZWXIS-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.98
Rot. Bonds5

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

5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 75374945) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID75374945
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCCCN1CCN(C2CCN(Cc3ncc(C)o3)CC2)CC1
InChIInChI=1S/C17H30N4O/c1-3-6-19-9-11-21(12-10-19)16-4-7-20(8-5-16)14-17-18-13-15(2)22-17/h13,16H,3-12,14H2,1-2H3
InChIKeyRNHUFSWHVZWXIS-UHFFFAOYSA-N
XLogP1.98
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole (CID 75374945) is 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole is CCCN1CCN(C2CCN(Cc3ncc(C)o3)CC2)CC1.
What is the InChIKey of 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is RNHUFSWHVZWXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-6-19-9-11-21(12-10-19)16-4-7-20(8-5-16)14-17-18-13-15(2)22-17/h13,16H,3-12,14H2,1-2H3.
What are the key properties of 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 306.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-(4-propylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 75374945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).