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

C17H31N3O — CID 79231922

IUPAC3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CC(CC(C)C)NCC1C(C)C
InChIInChI=1S/C17H31N3O/c1-11(2)7-15-9-20(17(8-18-15)12(3)4)10-16-13(5)19-21-14(16)6/h11-12,15,17-18H,7-10H2,1-6H3
InChIKeyIQNOQYRIOGPYJM-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.14
Rot. Bonds5

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

3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 79231922) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole
PubChem CID79231922
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CC(CC(C)C)NCC1C(C)C
InChIInChI=1S/C17H31N3O/c1-11(2)7-15-9-20(17(8-18-15)12(3)4)10-16-13(5)19-21-14(16)6/h11-12,15,17-18H,7-10H2,1-6H3
InChIKeyIQNOQYRIOGPYJM-UHFFFAOYSA-N
XLogP3.14
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 79238345
1-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64849507
5-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 64849123
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 115943612
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 106376809
4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
CID 64939835
N,N-dimethyl-3-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propan-1-amine
CID 64933854
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
CID 79237828

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole (CID 79231922) is 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CC(CC(C)C)NCC1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is IQNOQYRIOGPYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-11(2)7-15-9-20(17(8-18-15)12(3)4)10-16-13(5)19-21-14(16)6/h11-12,15,17-18H,7-10H2,1-6H3.
What are the key properties of 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 293.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 79231922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).