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

C14H17ClF3N3O — CID 1480337

IUPACN-[[(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
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-WDEREUQCSA-N
MW335.76 g/mol
LogP3.72
Rot. Bonds3

About 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

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 (PubChem CID 1480337) has the molecular formula C14H17ClF3N3O and a molecular weight of 335.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID1480337
Molecular FormulaC14H17ClF3N3O
Molecular Weight335.76 g/mol
Exact Mass335.10
IUPAC NameN-[[(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
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-WDEREUQCSA-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-[[(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1cnc(NC[C@H]2C[C@@H]3CCCCN3O2)c(Cl)c1.
What is the InChIKey of 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?
The InChIKey is VSZHYSAMQGJTER-WDEREUQCSA-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-[[(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?
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 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-[[(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 is sourced from PubChem (CID 1480337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).