(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one

C15H17NO2 — CID 100997260

IUPAC(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)=CC[C@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H17NO2/c1-11(2)9-10-15(3)14(17)18-13(16-15)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/t15-/m0/s1
InChIKeySWCXLVHIGXYLRY-HNNXBMFYSA-N
MW243.31 g/mol
LogP3.11
Rot. Bonds3

About (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one

(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one (PubChem CID 100997260) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
PubChem CID100997260
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
SMILESCC(C)=CC[C@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H17NO2/c1-11(2)9-10-15(3)14(17)18-13(16-15)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/t15-/m0/s1
InChIKeySWCXLVHIGXYLRY-HNNXBMFYSA-N
XLogP3.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
CID 100997269
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
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
4-benzyl-2-phenyl-4-(2-trimethylsilylethynyl)-1,3-oxazol-5-one
CID 102232575
4-benzyl-4-(iodomethyl)-2-phenyl-1,3-oxazol-5-one
CID 11784124

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one (CID 100997260) is (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one is CC(C)=CC[C@]1(C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is SWCXLVHIGXYLRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(2)9-10-15(3)14(17)18-13(16-15)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one?
(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 243.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 100997260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).