5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one

C15H27N3O2 — CID 67905726

IUPAC5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one
SMILESC=CC(C1CNC(=O)O1)N1CCN(CCCCC)CC1
InChIInChI=1S/C15H27N3O2/c1-3-5-6-7-17-8-10-18(11-9-17)13(4-2)14-12-16-15(19)20-14/h4,13-14H,2-3,5-12H2,1H3,(H,16,19)
InChIKeyGAXJPBBYFDGQAC-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.46
Rot. Bonds7

About 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one

5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 67905726) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one
PubChem CID67905726
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one
SMILESC=CC(C1CNC(=O)O1)N1CCN(CCCCC)CC1
InChIInChI=1S/C15H27N3O2/c1-3-5-6-7-17-8-10-18(11-9-17)13(4-2)14-12-16-15(19)20-14/h4,13-14H,2-3,5-12H2,1H3,(H,16,19)
InChIKeyGAXJPBBYFDGQAC-UHFFFAOYSA-N
XLogP1.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-Pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one
CID 173368500
tert-butyl (4R,5S)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10612126
tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10802002
tert-butyl (4S)-3-(hex-5-en-2-ylamino)-4-methoxypyrrolidine-1-carboxylate
CID 104583547
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 105021775

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one (CID 67905726) is 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one is C=CC(C1CNC(=O)O1)N1CCN(CCCCC)CC1.
What is the InChIKey of 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is GAXJPBBYFDGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-5-6-7-17-8-10-18(11-9-17)13(4-2)14-12-16-15(19)20-14/h4,13-14H,2-3,5-12H2,1H3,(H,16,19).
What are the key properties of 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one?
5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 281.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-pentylpiperazin-1-yl)prop-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67905726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).