3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C17H17ClF3N3O — CID 3821069

IUPAC3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN1OC(CNc2ncc(C(F)(F)F)cc2Cl)CC1c1ccccc1
InChIInChI=1S/C17H17ClF3N3O/c1-24-15(11-5-3-2-4-6-11)8-13(25-24)10-23-16-14(18)7-12(9-22-16)17(19,20)21/h2-7,9,13,15H,8,10H2,1H3,(H,22,23)
InChIKeyUJVUSHBJBUWIJI-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.54
Rot. Bonds4

About 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 3821069) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID3821069
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN1OC(CNc2ncc(C(F)(F)F)cc2Cl)CC1c1ccccc1
InChIInChI=1S/C17H17ClF3N3O/c1-24-15(11-5-3-2-4-6-11)8-13(25-24)10-23-16-14(18)7-12(9-22-16)17(19,20)21/h2-7,9,13,15H,8,10H2,1H3,(H,22,23)
InChIKeyUJVUSHBJBUWIJI-UHFFFAOYSA-N
XLogP4.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 43420858
3-chloro-N-[rac-(3S,4R)-4-methoxytetrahydrofuran-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 131893093
3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080733
3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 66646157
(3R)-5-tert-butyl-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 67953156
(3S)-5-tert-butyl-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 67953213
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrrolidin-3-ol
CID 67953803
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrrolidin-3-ol
CID 67953814
N-[5-[1-(oxetan-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]-2-pyridinyl]-N'-[(1E)-3-(3-phenyl-1,2-oxazolidin-2-yl)-2-(trifluoromethyl)buta-1,3-dienyl]ethanimidamide
CID 167116240
5-(3-chlorophenyl)-N-hexan-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 169970396
3-chloro-N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 176205711
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide
CID 1476502

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 3821069) is 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CN1OC(CNc2ncc(C(F)(F)F)cc2Cl)CC1c1ccccc1.
What is the InChIKey of 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UJVUSHBJBUWIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-24-15(11-5-3-2-4-6-11)8-13(25-24)10-23-16-14(18)7-12(9-22-16)17(19,20)21/h2-7,9,13,15H,8,10H2,1H3,(H,22,23).
What are the key properties of 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 371.79 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 3821069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).