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

C13H23N3O — CID 81173577

IUPAC3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCCC1(CC)CN(Cc2ccon2)C(C)CN1
InChIInChI=1S/C13H23N3O/c1-4-13(5-2)10-16(11(3)8-14-13)9-12-6-7-17-15-12/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyTZIOVUPPRFSSOT-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds4

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

3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 81173577) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID81173577
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCCC1(CC)CN(Cc2ccon2)C(C)CN1
InChIInChI=1S/C13H23N3O/c1-4-13(5-2)10-16(11(3)8-14-13)9-12-6-7-17-15-12/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyTZIOVUPPRFSSOT-UHFFFAOYSA-N
XLogP2.03
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Isoxazol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 16191041
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)-N-methylacetamide
CID 16192260
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 16187563
Methyl(1,2-oxazol-3-ylmethyl)amine
CID 23006272
1-(1,2-Oxazol-3-ylmethyl)piperazine
CID 4914503
1-(1-ethyl-2-pyrrolidinyl)-N-(3-isoxazolylmethyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}methanamine
CID 45207670
N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868342
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868350
N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71985669
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990256
N-cyclohexyl-N-methyl-4-(1,2-oxazol-3-ylmethyl)piperazine-1-sulfonamide
CID 72003295
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 72116467

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole (CID 81173577) is 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole is CCC1(CC)CN(Cc2ccon2)C(C)CN1.
What is the InChIKey of 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is TZIOVUPPRFSSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(5-2)10-16(11(3)8-14-13)9-12-6-7-17-15-12/h6-7,11,14H,4-5,8-10H2,1-3H3.
What are the key properties of 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole?
3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 237.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 81173577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).