2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine

C16H22FNO — CID 23437071

IUPAC2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine
SMILESC/C=C/CCc1ccc(C2NC(C)(C)CO2)c(F)c1
InChIInChI=1S/C16H22FNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h4-5,8-10,15,18H,6-7,11H2,1-3H3/b5-4+
InChIKeyZAANVAOJSCJFAF-SNAWJCMRSA-N
MW263.36 g/mol
LogP3.73
Rot. Bonds4

About 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine

2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine (PubChem CID 23437071) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine
PubChem CID23437071
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine
SMILESC/C=C/CCc1ccc(C2NC(C)(C)CO2)c(F)c1
InChIInChI=1S/C16H22FNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h4-5,8-10,15,18H,6-7,11H2,1-3H3/b5-4+
InChIKeyZAANVAOJSCJFAF-SNAWJCMRSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine (CID 23437071) is 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine is C/C=C/CCc1ccc(C2NC(C)(C)CO2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is ZAANVAOJSCJFAF-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H22FNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h4-5,8-10,15,18H,6-7,11H2,1-3H3/b5-4+.
What are the key properties of 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine?
2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 263.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 23437071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).