methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate

C15H17NO5 — CID 42604893

IUPACmethyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H17NO5/c1-20-14(18)9-5-8-13(17)16-12(10-21-15(16)19)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m1/s1
InChIKeyBKIAMCGCOYQVPC-GFCCVEGCSA-N
MW291.30 g/mol
LogP2.05
Rot. Bonds5

About methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate

methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate (PubChem CID 42604893) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate
PubChem CID42604893
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H17NO5/c1-20-14(18)9-5-8-13(17)16-12(10-21-15(16)19)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m1/s1
InChIKeyBKIAMCGCOYQVPC-GFCCVEGCSA-N
XLogP2.05
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate?
The IUPAC name of methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate (CID 42604893) is methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate.
What is the SMILES notation for methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate?
The canonical SMILES for methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate is COC(=O)CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate?
The InChIKey is BKIAMCGCOYQVPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17NO5/c1-20-14(18)9-5-8-13(17)16-12(10-21-15(16)19)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m1/s1.
What are the key properties of methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate?
methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate has a molecular weight of 291.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentanoate is sourced from PubChem (CID 42604893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).