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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).