ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole

C19H29N3O — CID 177319242

IUPACethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
SMILESCC.Cc1cc(CCCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C17H23N3O.C2H6/c1-15-14-16(18-21-15)6-5-9-19-10-12-20(13-11-19)17-7-3-2-4-8-17;1-2/h2-4,7-8,14H,5-6,9-13H2,1H3;1-2H3
InChIKeySZICPPKHYNRWCY-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.76
Rot. Bonds5

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

ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole (PubChem CID 177319242) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
PubChem CID177319242
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Nameethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
SMILESCC.Cc1cc(CCCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C17H23N3O.C2H6/c1-15-14-16(18-21-15)6-5-9-19-10-12-20(13-11-19)17-7-3-2-4-8-17;1-2/h2-4,7-8,14H,5-6,9-13H2,1H3;1-2H3
InChIKeySZICPPKHYNRWCY-UHFFFAOYSA-N
XLogP3.76
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
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-[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
3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 10270713
1-[3-[1-tert-butyl-5-(4-methoxyphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25065874
5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
CID 22727358
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
CID 68557259
ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole
CID 142385806

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole?
The IUPAC name of ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole (CID 177319242) is ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole.
What is the SMILES notation for ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole?
The canonical SMILES for ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole is CC.Cc1cc(CCCN2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole?
The InChIKey is SZICPPKHYNRWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C2H6/c1-15-14-16(18-21-15)6-5-9-19-10-12-20(13-11-19)17-7-3-2-4-8-17;1-2/h2-4,7-8,14H,5-6,9-13H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole?
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole has a molecular weight of 315.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole is sourced from PubChem (CID 177319242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).