(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one

C20H19NO2 — CID 100997269

IUPAC(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
SMILESC/C(=C/C[C@]1(C)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15(16-9-5-3-6-10-16)13-14-20(2)19(22)23-18(21-20)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3/b15-13-/t20-/m0/s1
InChIKeySRFXQUVFMAJFQG-TXUZILRVSA-N
MW305.38 g/mol
LogP4.24
Rot. Bonds4

About (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one

(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one (PubChem CID 100997269) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
PubChem CID100997269
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
SMILESC/C(=C/C[C@]1(C)N=C(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15(16-9-5-3-6-10-16)13-14-20(2)19(22)23-18(21-20)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3/b15-13-/t20-/m0/s1
InChIKeySRFXQUVFMAJFQG-TXUZILRVSA-N
XLogP4.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
CID 100943366
4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101412232
3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 13177925
(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one
CID 165350179
O-[(4S)-4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl] ethanethioate
CID 45123250
4-chloro-2-phenyl-4-propanoyl-1,3-oxazol-5-one
CID 13223327
3-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)benzoic acid
CID 12887256
2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
CID 102179165
4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
CID 54562596
[2-[(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)methyl]-3-pyridinyl] benzenesulfonate
CID 19349879
(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one
CID 134955603

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one (CID 100997269) is (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one?
The canonical SMILES for (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one is C/C(=C/C[C@]1(C)N=C(c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one?
The InChIKey is SRFXQUVFMAJFQG-TXUZILRVSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15(16-9-5-3-6-10-16)13-14-20(2)19(22)23-18(21-20)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3/b15-13-/t20-/m0/s1.
What are the key properties of (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one?
(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one has a molecular weight of 305.38 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 (4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one is sourced from PubChem (CID 100997269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).