pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate

C17H15F3N2O3 — CID 151970254

IUPACpyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESO=C(Oc1ccncc1)N1COCC1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-3-1-12(2-4-13)9-14-10-24-11-22(14)16(23)25-15-5-7-21-8-6-15/h1-8,14H,9-11H2
InChIKeyUAMYHOUVKCZQSJ-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.50
Rot. Bonds3

About pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate

pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 151970254) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namepyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID151970254
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Namepyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESO=C(Oc1ccncc1)N1COCC1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)13-3-1-12(2-4-13)9-14-10-24-11-22(14)16(23)25-15-5-7-21-8-6-15/h1-8,14H,9-11H2
InChIKeyUAMYHOUVKCZQSJ-UHFFFAOYSA-N
XLogP3.50
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-one
CID 141473595
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 151312894
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2-[cyclopropyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxylate
CID 172795002
1-methoxycarbonyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid;(2S,4R)-1-methoxycarbonyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 87129199
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
(3aS,7aS)-2-[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626645
(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one
CID 142754319
2-oxo-5-pyridin-4-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
CID 22261687
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
2-[4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115062243

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate (CID 151970254) is pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate is O=C(Oc1ccncc1)N1COCC1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is UAMYHOUVKCZQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)13-3-1-12(2-4-13)9-14-10-24-11-22(14)16(23)25-15-5-7-21-8-6-15/h1-8,14H,9-11H2.
What are the key properties of pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate?
pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 352.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 151970254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).