2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate

C15H17NO4 — CID 102179165

IUPAC2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCC(C)COC(=O)[C@@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H17NO4/c1-10(2)9-19-13(17)15(3)14(18)20-12(16-15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t15-/m1/s1
InChIKeyMOKMNDOKJDSRIJ-OAHLLOKOSA-N
MW275.30 g/mol
LogP1.95
Rot. Bonds4

About 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate

2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 102179165) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID102179165
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCC(C)COC(=O)[C@@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H17NO4/c1-10(2)9-19-13(17)15(3)14(18)20-12(16-15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t15-/m1/s1
InChIKeyMOKMNDOKJDSRIJ-OAHLLOKOSA-N
XLogP1.95
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 132566513
phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 101263641
ethyl 2,4-dimethyl-5-oxo-1,3-oxazole-4-carboxylate
CID 154091027
4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
CID 100943366
O-[(4S)-4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl] ethanethioate
CID 45123250
4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101412232
4-chloro-2-phenyl-4-propanoyl-1,3-oxazol-5-one
CID 13223327
(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
CID 54562596
(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
CID 100997269
4-[2,2-bis(diethoxyphosphoryl)ethyl]-4-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-one
CID 122222427
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate (CID 102179165) is 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate is CC(C)COC(=O)[C@@]1(C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is MOKMNDOKJDSRIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(2)9-19-13(17)15(3)14(18)20-12(16-15)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate?
2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 102179165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).