[(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate

C14H17NO4 — CID 10491782

IUPAC[(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate
SMILESCC(=O)O[C@@H](CCO)[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C14H17NO4/c1-10(17)19-13(7-8-16)12-9-18-14(15-12)11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyDKQINMCPNYODJH-STQMWFEESA-N
MW263.29 g/mol
LogP1.15
Rot. Bonds5

About [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate

[(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate (PubChem CID 10491782) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate.

Molecular Properties

Compound Name[(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate
PubChem CID10491782
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate
SMILESCC(=O)O[C@@H](CCO)[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C14H17NO4/c1-10(17)19-13(7-8-16)12-9-18-14(15-12)11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyDKQINMCPNYODJH-STQMWFEESA-N
XLogP1.15
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[(1R)-3-(4-methylphenyl)sulfonyloxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate
CID 10645623
methyl (2S,3S)-2,3-dihydroxy-3-[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propanoate
CID 10706789
[(S)-phenyl-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl] 2-methylpropanoate
CID 10892654
[(1S,2R)-1-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]butan-2-yl] methanesulfonate
CID 152893134
[(2R)-2-acetyloxy-2-[(4S)-2-(3-acetyloxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl] acetate
CID 59896119
(1S,2S)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecane-1,2-diol
CID 59097365
[(1R,2R)-2-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]but-3-enyl] methanesulfonate
CID 10757407
(1R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]but-3-en-1-ol
CID 10703988
[(R)-[(2R,3R)-3-(iodomethyl)oxiran-2-yl]-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl] methanesulfonate
CID 10622819
benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201142
methyl (E)-3-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]prop-2-enoate
CID 10561491
N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide
CID 59968039

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate?
The IUPAC name of [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate (CID 10491782) is [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate.
What is the SMILES notation for [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate?
The canonical SMILES for [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate is CC(=O)O[C@@H](CCO)[C@@H]1COC(c2ccccc2)=N1.
What is the InChIKey of [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate?
The InChIKey is DKQINMCPNYODJH-STQMWFEESA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(17)19-13(7-8-16)12-9-18-14(15-12)11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate?
[(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate has a molecular weight of 263.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-hydroxy-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate is sourced from PubChem (CID 10491782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).