(4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one

C20H18FNO2 — CID 154718195

IUPAC(4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one
SMILESC[C@@H](/C=C/c1ccccc1)[C@@]1(C)N=C(c2ccccc2F)OC1=O
InChIInChI=1S/C20H18FNO2/c1-14(12-13-15-8-4-3-5-9-15)20(2)19(23)24-18(22-20)16-10-6-7-11-17(16)21/h3-14H,1-2H3/b13-12+/t14-,20+/m0/s1
InChIKeyKVJUMQOKYCIVTC-KLKXIQQXSA-N
MW323.37 g/mol
LogP4.24
Rot. Bonds4

About (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one

(4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one (PubChem CID 154718195) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one
PubChem CID154718195
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name(4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one
SMILESC[C@@H](/C=C/c1ccccc1)[C@@]1(C)N=C(c2ccccc2F)OC1=O
InChIInChI=1S/C20H18FNO2/c1-14(12-13-15-8-4-3-5-9-15)20(2)19(23)24-18(22-20)16-10-6-7-11-17(16)21/h3-14H,1-2H3/b13-12+/t14-,20+/m0/s1
InChIKeyKVJUMQOKYCIVTC-KLKXIQQXSA-N
XLogP4.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
4-(3-Fluoro-benzylidene)-2-p-tolyl-4H-oxazol-5-one
CID 1733419
2-(4-Fluoro-phenyl)-4-(3-phenyl-allylidene)-4H-oxazol-5-one
CID 1921332
2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655
2-Oxazolin-5-one, 4-(p-fluorobenzylidene)-2-phenyl-
CID 1550109
4-Benzal-2-phenyl-5-oxazolone
CID 136663
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
(Z)-4-Benzylidene-2-phenyloxazol-5(4H)-one
CID 707067
AC1Ntnke
CID 5384656
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
2-Oxazolin-5-one, 4-(m-fluorobenzylidene)-2-phenyl-
CID 1550107
4-Benzylidene-2-(3-fluorophenyl)-1,3-oxazol-5(4H)-one
CID 740036

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one?
The IUPAC name of (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one (CID 154718195) is (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one?
The canonical SMILES for (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one is C[C@@H](/C=C/c1ccccc1)[C@@]1(C)N=C(c2ccccc2F)OC1=O.
What is the InChIKey of (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one?
The InChIKey is KVJUMQOKYCIVTC-KLKXIQQXSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-14(12-13-15-8-4-3-5-9-15)20(2)19(23)24-18(22-20)16-10-6-7-11-17(16)21/h3-14H,1-2H3/b13-12+/t14-,20+/m0/s1.
What are the key properties of (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one?
(4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one has a molecular weight of 323.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one is sourced from PubChem (CID 154718195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).