5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine

C20H36N4OSi2 — CID 615256

IUPAC5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[Si](C)(C)N(C1=NCC(CN2CCN(c3ccccc3)CC2)O1)[Si](C)(C)C
InChIInChI=1S/C20H36N4OSi2/c1-26(2,3)24(27(4,5)6)20-21-16-19(25-20)17-22-12-14-23(15-13-22)18-10-8-7-9-11-18/h7-11,19H,12-17H2,1-6H3
InChIKeyFDHMECFNIDVTNZ-UHFFFAOYSA-N
MW404.71 g/mol
LogP3.54
Rot. Bonds5

About 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine

5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 615256) has the molecular formula C20H36N4OSi2 and a molecular weight of 404.71 g/mol. Its IUPAC name is 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID615256
Molecular FormulaC20H36N4OSi2
Molecular Weight404.71 g/mol
Exact Mass404.24
IUPAC Name5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[Si](C)(C)N(C1=NCC(CN2CCN(c3ccccc3)CC2)O1)[Si](C)(C)C
InChIInChI=1S/C20H36N4OSi2/c1-26(2,3)24(27(4,5)6)20-21-16-19(25-20)17-22-12-14-23(15-13-22)18-10-8-7-9-11-18/h7-11,19H,12-17H2,1-6H3
InChIKeyFDHMECFNIDVTNZ-UHFFFAOYSA-N
XLogP3.54
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine
CID 92974402
[4-[4-[(2-amino-4,5-dihydro-1,3-oxazol-5-yl)methyl]piperazin-1-yl]phenyl] acetate
CID 3072943
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
CID 10871100
7-hydroxy-7-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-3,6-dihydro-2H-[1,3]oxazolo[3,2-a]pyrimidin-5-one
CID 10871658
1-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-4-phenylpiperazine
CID 10225976
3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline
CID 103134978
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
(6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
CID 10359539
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
(5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
CID 122688809
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-1,4-diazepane
CID 134708736

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 615256) is 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine is C[Si](C)(C)N(C1=NCC(CN2CCN(c3ccccc3)CC2)O1)[Si](C)(C)C.
What is the InChIKey of 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is FDHMECFNIDVTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4OSi2/c1-26(2,3)24(27(4,5)6)20-21-16-19(25-20)17-22-12-14-23(15-13-22)18-10-8-7-9-11-18/h7-11,19H,12-17H2,1-6H3.
What are the key properties of 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine?
5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 404.71 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylpiperazin-1-yl)methyl]-N,N-bis(trimethylsilyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 615256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).