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

C16H29N3O — CID 106376737

IUPAC2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCCC1(CC)CN(Cc2ncc(C)o2)C(C(C)C)CN1
InChIInChI=1S/C16H29N3O/c1-6-16(7-2)11-19(14(9-18-16)12(3)4)10-15-17-8-13(5)20-15/h8,12,14,18H,6-7,9-11H2,1-5H3
InChIKeyUCQMVNMGPRRWIH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.97
Rot. Bonds5

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

2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 106376737) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID106376737
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCCC1(CC)CN(Cc2ncc(C)o2)C(C(C)C)CN1
InChIInChI=1S/C16H29N3O/c1-6-16(7-2)11-19(14(9-18-16)12(3)4)10-15-17-8-13(5)20-15/h8,12,14,18H,6-7,9-11H2,1-5H3
InChIKeyUCQMVNMGPRRWIH-UHFFFAOYSA-N
XLogP2.97
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376746
5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64947762
5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
CID 106376719
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763
5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 115979603
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64939834
2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389939
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
5,5-diethyl-1-(2-methoxyethyl)-2-propan-2-ylpiperazine
CID 64860048
5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415561
5,5-diethyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298471

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole (CID 106376737) is 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is CCC1(CC)CN(Cc2ncc(C)o2)C(C(C)C)CN1.
What is the InChIKey of 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is UCQMVNMGPRRWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-16(7-2)11-19(14(9-18-16)12(3)4)10-15-17-8-13(5)20-15/h8,12,14,18H,6-7,9-11H2,1-5H3.
What are the key properties of 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole?
2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 279.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106376737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).