3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

C13H10ClF3N4O2 — CID 1486433

IUPAC3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC[C@H]2CC(c3ccno3)=NO2)c(Cl)c1
InChIInChI=1S/C13H10ClF3N4O2/c14-9-3-7(13(15,16)17)5-18-12(9)19-6-8-4-10(21-22-8)11-1-2-20-23-11/h1-3,5,8H,4,6H2,(H,18,19)/t8-/m1/s1
InChIKeyIAUCCLPDKJOSGX-MRVPVSSYSA-N
MW346.70 g/mol
LogP3.35
Rot. Bonds4

About 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 1486433) has the molecular formula C13H10ClF3N4O2 and a molecular weight of 346.70 g/mol. Its IUPAC name is 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID1486433
Molecular FormulaC13H10ClF3N4O2
Molecular Weight346.70 g/mol
Exact Mass346.04
IUPAC Name3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC[C@H]2CC(c3ccno3)=NO2)c(Cl)c1
InChIInChI=1S/C13H10ClF3N4O2/c14-9-3-7(13(15,16)17)5-18-12(9)19-6-8-4-10(21-22-8)11-1-2-20-23-11/h1-3,5,8H,4,6H2,(H,18,19)/t8-/m1/s1
InChIKeyIAUCCLPDKJOSGX-MRVPVSSYSA-N
XLogP3.35
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-N-[[(5S)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 1486434
3-chloro-N-{[3-(5-isoxazolyl)-4,5-dihydro-5-isoxazolyl]methyl}-5-(trifluoromethyl)-2-pyridinamine
CID 3766981
3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113357636
3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133347628

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 1486433) is 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NC[C@H]2CC(c3ccno3)=NO2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IAUCCLPDKJOSGX-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O2/c14-9-3-7(13(15,16)17)5-18-12(9)19-6-8-4-10(21-22-8)11-1-2-20-23-11/h1-3,5,8H,4,6H2,(H,18,19)/t8-/m1/s1.
What are the key properties of 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 346.70 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(5R)-3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 1486433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).