(4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one

C19H34FNO2 — CID 69379548

IUPAC(4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC=C[C@H]1OC(=O)N[C@@H]1CF
InChIInChI=1S/C19H34FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-17(16-20)21-19(22)23-18/h14-15,17-18H,2-13,16H2,1H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyRNJKIOPFBMSVPG-QZTJIDSGSA-N
MW327.48 g/mol
LogP5.69
Rot. Bonds14

About (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one

(4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one (PubChem CID 69379548) has the molecular formula C19H34FNO2 and a molecular weight of 327.48 g/mol. Its IUPAC name is (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one
PubChem CID69379548
Molecular FormulaC19H34FNO2
Molecular Weight327.48 g/mol
Exact Mass327.26
IUPAC Name(4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC=C[C@H]1OC(=O)N[C@@H]1CF
InChIInChI=1S/C19H34FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-17(16-20)21-19(22)23-18/h14-15,17-18H,2-13,16H2,1H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyRNJKIOPFBMSVPG-QZTJIDSGSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one (CID 69379548) is (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCCC=C[C@H]1OC(=O)N[C@@H]1CF.
What is the InChIKey of (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one?
The InChIKey is RNJKIOPFBMSVPG-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H34FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-17(16-20)21-19(22)23-18/h14-15,17-18H,2-13,16H2,1H3,(H,21,22)/t17-,18-/m1/s1.
What are the key properties of (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one?
(4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one has a molecular weight of 327.48 g/mol, XLogP of 5.69, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(fluoromethyl)-5-pentadec-1-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69379548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).