2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole

C17H31N3O — CID 106376809

IUPAC2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CC(C(C)(C)C)NCC2C(C)C)oc1C
InChIInChI=1S/C17H31N3O/c1-11(2)14-8-18-15(17(5,6)7)9-20(14)10-16-19-12(3)13(4)21-16/h11,14-15,18H,8-10H2,1-7H3
InChIKeyPAFAOKVTHMTDBF-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.14
Rot. Bonds3

About 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole

2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106376809) 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]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106376809
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CC(C(C)(C)C)NCC2C(C)C)oc1C
InChIInChI=1S/C17H31N3O/c1-11(2)14-8-18-15(17(5,6)7)9-20(14)10-16-19-12(3)13(4)21-16/h11,14-15,18H,8-10H2,1-7H3
InChIKeyPAFAOKVTHMTDBF-UHFFFAOYSA-N
XLogP3.14
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376587
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]-5-methyl-1,2,4-oxadiazole
CID 106421430
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64940221
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
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]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole (CID 106376809) is 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CN2CC(C(C)(C)C)NCC2C(C)C)oc1C.
What is the InChIKey of 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is PAFAOKVTHMTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-11(2)14-8-18-15(17(5,6)7)9-20(14)10-16-19-12(3)13(4)21-16/h11,14-15,18H,8-10H2,1-7H3.
What are the key properties of 2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 293.46 g/mol, XLogP of 3.14, 3 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]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106376809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).