N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine

C14H17ClF3N3O — CID 7070319

IUPACN-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC[C@@H]2C[C@@H]3CCCCN3O2)c(Cl)c1
InChIInChI=1S/C14H17ClF3N3O/c15-12-5-9(14(16,17)18)7-19-13(12)20-8-11-6-10-3-1-2-4-21(10)22-11/h5,7,10-11H,1-4,6,8H2,(H,19,20)/t10-,11-/m0/s1
InChIKeyVSZHYSAMQGJTER-QWRGUYRKSA-N
MW335.76 g/mol
LogP3.72
Rot. Bonds3

About N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine

N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 7070319) has the molecular formula C14H17ClF3N3O and a molecular weight of 335.76 g/mol. Its IUPAC name is N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID7070319
Molecular FormulaC14H17ClF3N3O
Molecular Weight335.76 g/mol
Exact Mass335.10
IUPAC NameN-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC[C@@H]2C[C@@H]3CCCCN3O2)c(Cl)c1
InChIInChI=1S/C14H17ClF3N3O/c15-12-5-9(14(16,17)18)7-19-13(12)20-8-11-6-10-3-1-2-4-21(10)22-11/h5,7,10-11H,1-4,6,8H2,(H,19,20)/t10-,11-/m0/s1
InChIKeyVSZHYSAMQGJTER-QWRGUYRKSA-N
XLogP3.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine with MolForge

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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
(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
3-chloro-N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 176205711
N-[[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 1480337
2-[1-[(5R)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]propanedinitrile
CID 1483814
2-[1-[(5S)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethylidene]propanedinitrile
CID 1483815
3-chloro-N-(hexahydro-2H-isoxazolo[2,3-a]pyridin-2-ylmethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2765109
3-Chloro-N-((3-(2,6-dichlorophenyl)-4,5-dihydro-5-isoxazolyl)methyl)-5-(trifluoromethyl)-2-pyridinamine
CID 3755485
3-chloro-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 3821069
1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-1-ethanone O-methyloxime
CID 4315611

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine (CID 7070319) is N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NC[C@@H]2C[C@@H]3CCCCN3O2)c(Cl)c1.
What is the InChIKey of N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VSZHYSAMQGJTER-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H17ClF3N3O/c15-12-5-9(14(16,17)18)7-19-13(12)20-8-11-6-10-3-1-2-4-21(10)22-11/h5,7,10-11H,1-4,6,8H2,(H,19,20)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 335.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 7070319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).