4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine

C18H26FNO — CID 74053004

IUPAC4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine
SMILESCC=CCCc1ccc(C2NC(CC)(CC)CO2)c(F)c1
InChIInChI=1S/C18H26FNO/c1-4-7-8-9-14-10-11-15(16(19)12-14)17-20-18(5-2,6-3)13-21-17/h4,7,10-12,17,20H,5-6,8-9,13H2,1-3H3
InChIKeyVKTNKEHWSQZLQN-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.51
Rot. Bonds6

About 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine

4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine (PubChem CID 74053004) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine
PubChem CID74053004
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine
SMILESCC=CCCc1ccc(C2NC(CC)(CC)CO2)c(F)c1
InChIInChI=1S/C18H26FNO/c1-4-7-8-9-14-10-11-15(16(19)12-14)17-20-18(5-2,6-3)13-21-17/h4,7,10-12,17,20H,5-6,8-9,13H2,1-3H3
InChIKeyVKTNKEHWSQZLQN-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Lactoglobulins, beta-
CID 167312513
(2S,4S)-2-methyl-4-[(4-octylphenyl)methoxy]pyrrolidine;hydrochloride
CID 72704521
Oxazolidine, 4-methyl-5-phenyl-2-trifluoromethyl-
CID 207926
3-Methyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 3051660
CID 72704519
CID 72704519
2,2-Diphenyl-1,3-oxazolidine
CID 881636
Oxazolidine, 2-phenyl-
CID 347092
(R)-2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-phenyl-pyrrolidine
CID 10318976
4-Methyl-5-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
CID 207526
Oxazolidine, 2-(p-fluorophenyl)-3-methyl-
CID 3051655
Oxazolidine, 2-(m-fluorophenyl)-3-methyl-
CID 3051656
2-(2,4-Dimethylphenyl)-3-methyl-1,3-oxazolidine
CID 3051665

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine?
The IUPAC name of 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine (CID 74053004) is 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine?
The canonical SMILES for 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine is CC=CCCc1ccc(C2NC(CC)(CC)CO2)c(F)c1.
What is the InChIKey of 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine?
The InChIKey is VKTNKEHWSQZLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-4-7-8-9-14-10-11-15(16(19)12-14)17-20-18(5-2,6-3)13-21-17/h4,7,10-12,17,20H,5-6,8-9,13H2,1-3H3.
What are the key properties of 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine?
4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine has a molecular weight of 291.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2-(2-fluoro-4-pent-3-enylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 74053004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).