(4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine

C18H16FNO — CID 122391161

IUPAC(4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine
SMILESFc1cccc(C#CCN2COC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C18H16FNO/c19-17-10-4-6-15(12-17)7-5-11-20-14-21-13-18(20)16-8-2-1-3-9-16/h1-4,6,8-10,12,18H,11,13-14H2/t18-/m1/s1
InChIKeyPRQNWQSOKFAPHC-GOSISDBHSA-N
MW281.33 g/mol
LogP3.21
Rot. Bonds2

About (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine

(4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine (PubChem CID 122391161) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine
PubChem CID122391161
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine
SMILESFc1cccc(C#CCN2COC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C18H16FNO/c19-17-10-4-6-15(12-17)7-5-11-20-14-21-13-18(20)16-8-2-1-3-9-16/h1-4,6,8-10,12,18H,11,13-14H2/t18-/m1/s1
InChIKeyPRQNWQSOKFAPHC-GOSISDBHSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-(3-fluoroprop-1-ynyl)benzene
CID 91874936
1,3-bis(3-phenylprop-2-ynyl)imidazolidine
CID 133188423
(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
CID 14874965
1-[2-(3-fluorophenyl)ethynyl]naphthalene
CID 171990074
(3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine
CID 166110101
11-[2-(3-fluorophenyl)ethynyl]-4-oxa-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 139312937
(4R,5R)-4-[5-[3-(3,3-difluoroazetidin-1-yl)prop-1-ynyl]-3-pyridinyl]-5-(3-fluorophenyl)-1,3-oxazolidin-2-one
CID 118008750
[1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]methanol
CID 62339387
(2S,3R)-2,3-dimethyl-1-(3-phenylprop-2-ynyl)piperidine
CID 11021734
4-[2-(3-fluorophenyl)ethynyl]benzoic acid
CID 23533987
1-[5-[2-(3-fluorophenyl)ethynyl]-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 167135969
3-(3-fluorophenyl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline;dihydrochloride
CID 19036001

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine?
The IUPAC name of (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine (CID 122391161) is (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine?
The canonical SMILES for (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine is Fc1cccc(C#CCN2COC[C@@H]2c2ccccc2)c1.
What is the InChIKey of (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine?
The InChIKey is PRQNWQSOKFAPHC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FNO/c19-17-10-4-6-15(12-17)7-5-11-20-14-21-13-18(20)16-8-2-1-3-9-16/h1-4,6,8-10,12,18H,11,13-14H2/t18-/m1/s1.
What are the key properties of (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine?
(4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine has a molecular weight of 281.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine is sourced from PubChem (CID 122391161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).