3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid

C15H19NO3 — CID 70005895

IUPAC3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2N2CCOC2)C1
InChIInChI=1S/C15H19NO3/c17-15(18)12-6-5-11(9-12)13-3-1-2-4-14(13)16-7-8-19-10-16/h1-4,11-12H,5-10H2,(H,17,18)
InChIKeyWDMXHFUMIFTCGS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.45
Rot. Bonds3

About 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid

3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 70005895) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID70005895
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2N2CCOC2)C1
InChIInChI=1S/C15H19NO3/c17-15(18)12-6-5-11(9-12)13-3-1-2-4-14(13)16-7-8-19-10-16/h1-4,11-12H,5-10H2,(H,17,18)
InChIKeyWDMXHFUMIFTCGS-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid (CID 70005895) is 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2ccccc2N2CCOC2)C1.
What is the InChIKey of 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is WDMXHFUMIFTCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)12-6-5-11(9-12)13-3-1-2-4-14(13)16-7-8-19-10-16/h1-4,11-12H,5-10H2,(H,17,18).
What are the key properties of 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid?
3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 70005895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).