(5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

C17H21F3N2O3 — CID 25103958

IUPAC(5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COc2ccc(C(F)(F)F)cn2)CN1C1CCCCCC1
InChIInChI=1S/C17H21F3N2O3/c18-17(19,20)12-7-8-15(21-9-12)24-11-14-10-22(16(23)25-14)13-5-3-1-2-4-6-13/h7-9,13-14H,1-6,10-11H2/t14-/m0/s1
InChIKeyRBOCTITYXZFCBP-AWEZNQCLSA-N
MW358.36 g/mol
LogP4.02
Rot. Bonds4

About (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

(5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 25103958) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID25103958
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name(5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COc2ccc(C(F)(F)F)cn2)CN1C1CCCCCC1
InChIInChI=1S/C17H21F3N2O3/c18-17(19,20)12-7-8-15(21-9-12)24-11-14-10-22(16(23)25-14)13-5-3-1-2-4-6-13/h7-9,13-14H,1-6,10-11H2/t14-/m0/s1
InChIKeyRBOCTITYXZFCBP-AWEZNQCLSA-N
XLogP4.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (CID 25103958) is (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is O=C1O[C@H](COc2ccc(C(F)(F)F)cn2)CN1C1CCCCCC1.
What is the InChIKey of (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is RBOCTITYXZFCBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c18-17(19,20)12-7-8-15(21-9-12)24-11-14-10-22(16(23)25-14)13-5-3-1-2-4-6-13/h7-9,13-14H,1-6,10-11H2/t14-/m0/s1.
What are the key properties of (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
(5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 358.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-cycloheptyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25103958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).