6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C20H17Cl2F3N2O — CID 58200059

IUPAC6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C20H17Cl2F3N2O/c21-14-7-13(8-15(22)9-14)19(20(23,24)25)10-18(27-28-19)12-4-5-16-11(6-12)2-1-3-17(16)26/h4-9,17H,1-3,10,26H2
InChIKeyRIHYXXNWQPVHIP-UHFFFAOYSA-N
MW429.27 g/mol
LogP5.91
Rot. Bonds2

About 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 58200059) has the molecular formula C20H17Cl2F3N2O and a molecular weight of 429.27 g/mol. Its IUPAC name is 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID58200059
Molecular FormulaC20H17Cl2F3N2O
Molecular Weight429.27 g/mol
Exact Mass428.07
IUPAC Name6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C20H17Cl2F3N2O/c21-14-7-13(8-15(22)9-14)19(20(23,24)25)10-18(27-28-19)12-4-5-16-11(6-12)2-1-3-17(16)26/h4-9,17H,1-3,10,26H2
InChIKeyRIHYXXNWQPVHIP-UHFFFAOYSA-N
XLogP5.91
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.27
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-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 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 58200059) is 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2cc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RIHYXXNWQPVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N2O/c21-14-7-13(8-15(22)9-14)19(20(23,24)25)10-18(27-28-19)12-4-5-16-11(6-12)2-1-3-17(16)26/h4-9,17H,1-3,10,26H2.
What are the key properties of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 429.27 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 58200059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).