7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid

C19H33NO5 — CID 13251058

IUPAC7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1COC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C19H33NO5/c21-17(15-8-4-3-5-9-15)12-13-20-16(14-25-19(20)24)10-6-1-2-7-11-18(22)23/h15-17,21H,1-14H2,(H,22,23)
InChIKeyLGQWFVLITJHNJY-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.56
Rot. Bonds11

About 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid

7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid (PubChem CID 13251058) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid.

Molecular Properties

Compound Name7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid
PubChem CID13251058
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1COC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C19H33NO5/c21-17(15-8-4-3-5-9-15)12-13-20-16(14-25-19(20)24)10-6-1-2-7-11-18(22)23/h15-17,21H,1-14H2,(H,22,23)
InChIKeyLGQWFVLITJHNJY-UHFFFAOYSA-N
XLogP3.56
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid?
The IUPAC name of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid (CID 13251058) is 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid.
What is the SMILES notation for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid?
The canonical SMILES for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid is O=C(O)CCCCCCC1COC(=O)N1CCC(O)C1CCCCC1.
What is the InChIKey of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid?
The InChIKey is LGQWFVLITJHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO5/c21-17(15-8-4-3-5-9-15)12-13-20-16(14-25-19(20)24)10-6-1-2-7-11-18(22)23/h15-17,21H,1-14H2,(H,22,23).
What are the key properties of 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid?
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid has a molecular weight of 355.48 g/mol, XLogP of 3.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid is sourced from PubChem (CID 13251058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).