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

C19H27N3O — CID 142390486

IUPAC5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
SMILESCc1cc(CCCCCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C19H27N3O/c1-17-16-18(20-23-17)8-4-3-7-11-21-12-14-22(15-13-21)19-9-5-2-6-10-19/h2,5-6,9-10,16H,3-4,7-8,11-15H2,1H3
InChIKeyQVCIGKUIZZPSHF-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.52
Rot. Bonds7

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

5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole (PubChem CID 142390486) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
PubChem CID142390486
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
SMILESCc1cc(CCCCCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C19H27N3O/c1-17-16-18(20-23-17)8-4-3-7-11-21-12-14-22(15-13-21)19-9-5-2-6-10-19/h2,5-6,9-10,16H,3-4,7-8,11-15H2,1H3
InChIKeyQVCIGKUIZZPSHF-UHFFFAOYSA-N
XLogP3.52
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142389997
5-methyl-3-[3-[4-[4-methyl-3-[2-methyl-5-[4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-1-yl]phenyl]phenyl]piperazin-1-yl]propyl]-1,2-oxazole
CID 135174795
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
5-methyl-3-[2-[4-[4-[2-[3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]-1,2-oxazol-5-yl]ethyl]phenyl]piperazin-1-yl]ethoxymethyl]-1,2-oxazole
CID 146942040
5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
CID 22727358
1,3-bis(2-methoxyethoxy)propane;1,4-dimethoxybutane;1,2-dimethoxyethane;1,6-dimethoxyhexane;1,3-dimethoxypropane;methoxyethane;1-methoxy-4-(4-methoxybutoxy)butane;1-methoxy-4-(2-methoxyethoxy)butane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-4-[2-(2-methoxyethoxy)ethoxy]butane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane;1-methoxy-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;1-methoxy-3-[2-(2-methoxyethoxy)ethoxy]propane;1-methoxy-6-(2-methoxyethoxy)hexane;1-methoxy-3-(2-methoxyethoxy)propane;1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propane;1-methoxy-5-(3-methoxypropoxy)pentane;1-methoxy-3-(3-methoxypropoxy)propane;1-methoxypropane;5-methyl-3-[4-[4-(4-methylphenyl)piperazin-1-yl]butoxymethyl]-1,2-oxazole;5-methyl-3-[3-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-[4-(4-methylphenyl)piperazin-1-yl]hexyl]-1,2-oxazole;5-methyl-3-[5-[4-(4-methylphenyl)piperazin-1-yl]pentyl]-1,2-oxazole;5-methyl-3-[2-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]ethyl]-1,2-oxazole
CID 157455429
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 75375536
5-[3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 55446107
1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25065259
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 10270713

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole (CID 142390486) is 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole is Cc1cc(CCCCCN2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole?
The InChIKey is QVCIGKUIZZPSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-17-16-18(20-23-17)8-4-3-7-11-21-12-14-22(15-13-21)19-9-5-2-6-10-19/h2,5-6,9-10,16H,3-4,7-8,11-15H2,1H3.
What are the key properties of 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole?
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole has a molecular weight of 313.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole is sourced from PubChem (CID 142390486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).