ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate

C15H19NO4 — CID 102181640

IUPACethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate
SMILESCCOC(=O)CC[C@]1(CO)COC(c2ccccc2)=N1
InChIInChI=1S/C15H19NO4/c1-2-19-13(18)8-9-15(10-17)11-20-14(16-15)12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3/t15-/m0/s1
InChIKeyDVZUQZSNEKPQMM-HNNXBMFYSA-N
MW277.32 g/mol
LogP1.54
Rot. Bonds6

About ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate

ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate (PubChem CID 102181640) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate
PubChem CID102181640
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate
SMILESCCOC(=O)CC[C@]1(CO)COC(c2ccccc2)=N1
InChIInChI=1S/C15H19NO4/c1-2-19-13(18)8-9-15(10-17)11-20-14(16-15)12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3/t15-/m0/s1
InChIKeyDVZUQZSNEKPQMM-HNNXBMFYSA-N
XLogP1.54
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate (CID 102181640) is ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate is CCOC(=O)CC[C@]1(CO)COC(c2ccccc2)=N1.
What is the InChIKey of ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate?
The InChIKey is DVZUQZSNEKPQMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-13(18)8-9-15(10-17)11-20-14(16-15)12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3/t15-/m0/s1.
What are the key properties of ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate?
ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate has a molecular weight of 277.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate is sourced from PubChem (CID 102181640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).