5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole

C18H25N3O2 — CID 142389997

IUPAC5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
SMILESCc1cc(CCOCCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-16-15-17(19-23-16)7-13-22-14-12-20-8-10-21(11-9-20)18-5-3-2-4-6-18/h2-6,15H,7-14H2,1H3
InChIKeyOYVVSQCWRXBYST-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.36
Rot. Bonds7

About 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole

5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole (PubChem CID 142389997) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
PubChem CID142389997
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
SMILESCc1cc(CCOCCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-16-15-17(19-23-16)7-13-22-14-12-20-8-10-21(11-9-20)18-5-3-2-4-6-18/h2-6,15H,7-14H2,1H3
InChIKeyOYVVSQCWRXBYST-UHFFFAOYSA-N
XLogP2.36
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-N'-phenylethane-1,2-diamine
CID 53592414
N-benzyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 53601612
2-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]ethanol
CID 71857545
(5aR,9aR)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-phenyl-3,5a,6,7,9,9a-hexahydro-2H-pyrido[4,3-f][1,4]oxazepin-5-one
CID 97419348
4-[(5-Phenylisoxazol-3-yl)methyl]morpholine
CID 15761404
5-[[4-[2-(2-Fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 47014942
3-[[4-[2-(3-Fluorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 53528401
(5-Methyl-1,2-oxazol-3-yl)methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]propanoate
CID 53620536
(3-Methyl-1,2-oxazol-5-yl)methyl 2-[4-(4-fluorophenyl)piperazin-1-yl]propanoate
CID 53620877
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60196579
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-1-amine
CID 60196787
1-(2-Fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine
CID 78807657

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole (CID 142389997) is 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole is Cc1cc(CCOCCN2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The InChIKey is OYVVSQCWRXBYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-16-15-17(19-23-16)7-13-22-14-12-20-8-10-21(11-9-20)18-5-3-2-4-6-18/h2-6,15H,7-14H2,1H3.
What are the key properties of 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole has a molecular weight of 315.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 142389997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).