2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole

C17H25N3O2 — CID 95333527

IUPAC2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
SMILESCC[C@H]1CN(Cc2nc3ccccc3o2)CCN1CCOC
InChIInChI=1S/C17H25N3O2/c1-3-14-12-19(8-9-20(14)10-11-21-2)13-17-18-15-6-4-5-7-16(15)22-17/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1
InChIKeyMUYYHGTVAICFNZ-AWEZNQCLSA-N
MW303.41 g/mol
LogP2.37
Rot. Bonds6

About 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole

2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole (PubChem CID 95333527) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
PubChem CID95333527
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
SMILESCC[C@H]1CN(Cc2nc3ccccc3o2)CCN1CCOC
InChIInChI=1S/C17H25N3O2/c1-3-14-12-19(8-9-20(14)10-11-21-2)13-17-18-15-6-4-5-7-16(15)22-17/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1
InChIKeyMUYYHGTVAICFNZ-AWEZNQCLSA-N
XLogP2.37
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742
(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95766493
2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 95333156
3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95602502
2-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 67987635
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 65449608
(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine
CID 100839425
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 95345452
2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 63873491
2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 71926991
2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 154774777

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole?
The IUPAC name of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole (CID 95333527) is 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole is CC[C@H]1CN(Cc2nc3ccccc3o2)CCN1CCOC.
What is the InChIKey of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole?
The InChIKey is MUYYHGTVAICFNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-14-12-19(8-9-20(14)10-11-21-2)13-17-18-15-6-4-5-7-16(15)22-17/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole?
2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole has a molecular weight of 303.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole is sourced from PubChem (CID 95333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).