[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine

C17H12Cl3F3N2O — CID 86723370

IUPAC[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine
SMILESNCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C17H12Cl3F3N2O/c18-12-4-11(5-13(19)6-12)16(17(21,22)23)7-15(25-26-16)9-1-2-14(20)10(3-9)8-24/h1-6H,7-8,24H2
InChIKeySFISTVDNHDJMPC-UHFFFAOYSA-N
MW423.65 g/mol
LogP5.69
Rot. Bonds3

About [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine

[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine (PubChem CID 86723370) has the molecular formula C17H12Cl3F3N2O and a molecular weight of 423.65 g/mol. Its IUPAC name is [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine
PubChem CID86723370
Molecular FormulaC17H12Cl3F3N2O
Molecular Weight423.65 g/mol
Exact Mass422.00
IUPAC Name[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine
SMILESNCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C17H12Cl3F3N2O/c18-12-4-11(5-13(19)6-12)16(17(21,22)23)7-15(25-26-16)9-1-2-14(20)10(3-9)8-24/h1-6H,7-8,24H2
InChIKeySFISTVDNHDJMPC-UHFFFAOYSA-N
XLogP5.69
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.65
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine 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 [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine?
The IUPAC name of [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine (CID 86723370) is [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine?
The canonical SMILES for [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine is NCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl.
What is the InChIKey of [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine?
The InChIKey is SFISTVDNHDJMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3F3N2O/c18-12-4-11(5-13(19)6-12)16(17(21,22)23)7-15(25-26-16)9-1-2-14(20)10(3-9)8-24/h1-6H,7-8,24H2.
What are the key properties of [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine?
[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine has a molecular weight of 423.65 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 86723370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).