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

C14H25N3O — CID 106376746

IUPAC2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CC(C)(C)NCC2C(C)C)o1
InChIInChI=1S/C14H25N3O/c1-10(2)12-7-16-14(4,5)9-17(12)8-13-15-6-11(3)18-13/h6,10,12,16H,7-9H2,1-5H3
InChIKeyYKHMTRFKFGLURT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.19
Rot. Bonds3

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

2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 106376746) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID106376746
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CC(C)(C)NCC2C(C)C)o1
InChIInChI=1S/C14H25N3O/c1-10(2)12-7-16-14(4,5)9-17(12)8-13-15-6-11(3)18-13/h6,10,12,16H,7-9H2,1-5H3
InChIKeyYKHMTRFKFGLURT-UHFFFAOYSA-N
XLogP2.19
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376737
5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
CID 106376719
4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945782
2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376771
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763
1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840083
1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107310470
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82924761
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043394
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840082

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (CID 106376746) is 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is Cc1cnc(CN2CC(C)(C)NCC2C(C)C)o1.
What is the InChIKey of 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is YKHMTRFKFGLURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)12-7-16-14(4,5)9-17(12)8-13-15-6-11(3)18-13/h6,10,12,16H,7-9H2,1-5H3.
What are the key properties of 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 251.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106376746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).