1,3-oxazolidin-3-yl 4-phenylbutanoate

C13H17NO3 — CID 69093922

IUPAC1,3-oxazolidin-3-yl 4-phenylbutanoate
SMILESO=C(CCCc1ccccc1)ON1CCOC1
InChIInChI=1S/C13H17NO3/c15-13(17-14-9-10-16-11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeyNNHVOOKEQHLALZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.76
Rot. Bonds5

About 1,3-oxazolidin-3-yl 4-phenylbutanoate

1,3-oxazolidin-3-yl 4-phenylbutanoate (PubChem CID 69093922) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1,3-oxazolidin-3-yl 4-phenylbutanoate.

Molecular Properties

Compound Name1,3-oxazolidin-3-yl 4-phenylbutanoate
PubChem CID69093922
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1,3-oxazolidin-3-yl 4-phenylbutanoate
SMILESO=C(CCCc1ccccc1)ON1CCOC1
InChIInChI=1S/C13H17NO3/c15-13(17-14-9-10-16-11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeyNNHVOOKEQHLALZ-UHFFFAOYSA-N
XLogP1.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trimethylsilyl 4-phenylbutanoate
CID 523833
1-(oxazinan-2-yl)-4-phenylbutan-1-one
CID 113375900
benzyl 4-phenylbutanoate
CID 11961623
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
cyclododecyl 4-phenylbutanoate
CID 23159480
2,4-dimethylpentan-3-yl 4-phenylbutanoate
CID 146366962
(4-hydroxyphenyl) 4-phenylbutanoate
CID 66680445
1,2-difluoroethyl 4-phenylbutanoate
CID 141160477
(3-methyloxetan-3-yl)methyl 4-phenylbutanoate
CID 13123200
1-(4-aminooxan-4-yl)-4-phenylbutan-1-one
CID 116604543
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-3-yl 4-phenylbutanoate?
The IUPAC name of 1,3-oxazolidin-3-yl 4-phenylbutanoate (CID 69093922) is 1,3-oxazolidin-3-yl 4-phenylbutanoate.
What is the SMILES notation for 1,3-oxazolidin-3-yl 4-phenylbutanoate?
The canonical SMILES for 1,3-oxazolidin-3-yl 4-phenylbutanoate is O=C(CCCc1ccccc1)ON1CCOC1.
What is the InChIKey of 1,3-oxazolidin-3-yl 4-phenylbutanoate?
The InChIKey is NNHVOOKEQHLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(17-14-9-10-16-11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2.
What are the key properties of 1,3-oxazolidin-3-yl 4-phenylbutanoate?
1,3-oxazolidin-3-yl 4-phenylbutanoate has a molecular weight of 235.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-3-yl 4-phenylbutanoate is sourced from PubChem (CID 69093922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).