3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C15H16F3N3O4 — CID 100738386

IUPAC3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C15H16F3N3O4/c16-15(17,18)10-1-3-19-12(7-10)25-11-2-4-20(8-11)13(22)9-21-5-6-24-14(21)23/h1,3,7,11H,2,4-6,8-9H2/t11-/m0/s1
InChIKeyWTBYARBGMDAIAX-NSHDSACASA-N
MW359.30 g/mol
LogP1.53
Rot. Bonds4

About 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 100738386) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID100738386
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC Name3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C15H16F3N3O4/c16-15(17,18)10-1-3-19-12(7-10)25-11-2-4-20(8-11)13(22)9-21-5-6-24-14(21)23/h1,3,7,11H,2,4-6,8-9H2/t11-/m0/s1
InChIKeyWTBYARBGMDAIAX-NSHDSACASA-N
XLogP1.53
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 100738386) is 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is WTBYARBGMDAIAX-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F3N3O4/c16-15(17,18)10-1-3-19-12(7-10)25-11-2-4-20(8-11)13(22)9-21-5-6-24-14(21)23/h1,3,7,11H,2,4-6,8-9H2/t11-/m0/s1.
What are the key properties of 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 359.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100738386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).