methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C11H11NO3 — CID 11195076

IUPACmethyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@H]1N=CO[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO3/c1-14-11(13)9-10(15-7-12-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3/t9-,10+/m1/s1
InChIKeyFPOSDFJXMFJZGJ-ZJUUUORDSA-N
MW205.21 g/mol
LogP1.33
Rot. Bonds2

About methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 11195076) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID11195076
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@H]1N=CO[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO3/c1-14-11(13)9-10(15-7-12-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3/t9-,10+/m1/s1
InChIKeyFPOSDFJXMFJZGJ-ZJUUUORDSA-N
XLogP1.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 11195076) is methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)[C@@H]1N=CO[C@H]1c1ccccc1.
What is the InChIKey of methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is FPOSDFJXMFJZGJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-11(13)9-10(15-7-12-9)8-5-3-2-4-6-8/h2-7,9-10H,1H3/t9-,10+/m1/s1.
What are the key properties of methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11195076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).