[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine

C19H17Cl2F3N2O — CID 67356224

IUPAC[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine
SMILESCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1CN
InChIInChI=1S/C19H17Cl2F3N2O/c1-11-5-12(3-4-13(11)10-25)17-9-18(19(22,23)24,27-26(17)2)14-6-15(20)8-16(21)7-14/h3-9H,10,25H2,1-2H3
InChIKeyLGNWFQSZHUAARV-UHFFFAOYSA-N
MW417.26 g/mol
LogP5.44
Rot. Bonds3

About [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine

[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine (PubChem CID 67356224) has the molecular formula C19H17Cl2F3N2O and a molecular weight of 417.26 g/mol. Its IUPAC name is [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine
PubChem CID67356224
Molecular FormulaC19H17Cl2F3N2O
Molecular Weight417.26 g/mol
Exact Mass416.07
IUPAC Name[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine
SMILESCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1CN
InChIInChI=1S/C19H17Cl2F3N2O/c1-11-5-12(3-4-13(11)10-25)17-9-18(19(22,23)24,27-26(17)2)14-6-15(20)8-16(21)7-14/h3-9H,10,25H2,1-2H3
InChIKeyLGNWFQSZHUAARV-UHFFFAOYSA-N
XLogP5.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.26
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine?
The IUPAC name of [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine (CID 67356224) is [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine.
What is the SMILES notation for [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine?
The canonical SMILES for [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine is Cc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1CN.
What is the InChIKey of [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine?
The InChIKey is LGNWFQSZHUAARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O/c1-11-5-12(3-4-13(11)10-25)17-9-18(19(22,23)24,27-26(17)2)14-6-15(20)8-16(21)7-14/h3-9H,10,25H2,1-2H3.
What are the key properties of [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine?
[4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine has a molecular weight of 417.26 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-2-methylphenyl]methanamine is sourced from PubChem (CID 67356224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).