2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole

C17H31N3O — CID 106376587

IUPAC2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CC(C(C)(C)C)NCC2C(C)C)o1
InChIInChI=1S/C17H31N3O/c1-7-13-8-19-16(21-13)11-20-10-15(17(4,5)6)18-9-14(20)12(2)3/h8,12,14-15,18H,7,9-11H2,1-6H3
InChIKeyZTZIEAXTHQRVFV-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.08
Rot. Bonds4

About 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole

2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole (PubChem CID 106376587) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
PubChem CID106376587
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CC(C(C)(C)C)NCC2C(C)C)o1
InChIInChI=1S/C17H31N3O/c1-7-13-8-19-16(21-13)11-20-10-15(17(4,5)6)18-9-14(20)12(2)3/h8,12,14-15,18H,7,9-11H2,1-6H3
InChIKeyZTZIEAXTHQRVFV-UHFFFAOYSA-N
XLogP3.08
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 106376809
2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376633
3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408608
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376640
5-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64946669
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421430
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64940221
2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376737
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The IUPAC name of 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole (CID 106376587) is 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole is CCc1cnc(CN2CC(C(C)(C)C)NCC2C(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
The InChIKey is ZTZIEAXTHQRVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-13-8-19-16(21-13)11-20-10-15(17(4,5)6)18-9-14(20)12(2)3/h8,12,14-15,18H,7,9-11H2,1-6H3.
What are the key properties of 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole?
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole has a molecular weight of 293.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole is sourced from PubChem (CID 106376587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).