3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole

C15H27N3O — CID 79237828

IUPAC3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
SMILESCc1noc(C)c1C(C)N1CCNC(CC(C)C)C1
InChIInChI=1S/C15H27N3O/c1-10(2)8-14-9-18(7-6-16-14)12(4)15-11(3)17-19-13(15)5/h10,12,14,16H,6-9H2,1-5H3
InChIKeyUIXJYMNMCQNSLX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.67
Rot. Bonds4

About 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole

3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole (PubChem CID 79237828) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
PubChem CID79237828
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
SMILESCc1noc(C)c1C(C)N1CCNC(CC(C)C)C1
InChIInChI=1S/C15H27N3O/c1-10(2)8-14-9-18(7-6-16-14)12(4)15-11(3)17-19-13(15)5/h10,12,14,16H,6-9H2,1-5H3
InChIKeyUIXJYMNMCQNSLX-UHFFFAOYSA-N
XLogP2.67
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole (CID 79237828) is 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole is Cc1noc(C)c1C(C)N1CCNC(CC(C)C)C1.
What is the InChIKey of 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole?
The InChIKey is UIXJYMNMCQNSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)8-14-9-18(7-6-16-14)12(4)15-11(3)17-19-13(15)5/h10,12,14,16H,6-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole?
3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole has a molecular weight of 265.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole is sourced from PubChem (CID 79237828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).