5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine

C10H7Cl2F3N2O — CID 147939216

IUPAC5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
SMILESNC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C10H7Cl2F3N2O/c11-6-1-5(2-7(12)3-6)9(10(13,14)15)4-8(16)17-18-9/h1-3H,4H2,(H2,16,17)
InChIKeyILKAWHSBFMQGEN-UHFFFAOYSA-N
MW299.08 g/mol
LogP3.44
Rot. Bonds1

About 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine

5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine (PubChem CID 147939216) has the molecular formula C10H7Cl2F3N2O and a molecular weight of 299.08 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
PubChem CID147939216
Molecular FormulaC10H7Cl2F3N2O
Molecular Weight299.08 g/mol
Exact Mass297.99
IUPAC Name5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
SMILESNC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C10H7Cl2F3N2O/c11-6-1-5(2-7(12)3-6)9(10(13,14)15)4-8(16)17-18-9/h1-3H,4H2,(H2,16,17)
InChIKeyILKAWHSBFMQGEN-UHFFFAOYSA-N
XLogP3.44
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
CID 164873478
5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane
CID 161326009
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine
CID 162600017
3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 141349448
2-chloro-5-[[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-methylamino]benzoic acid
CID 164873436
3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine
CID 163808985
[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine
CID 58533510
5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 58223544
3-(4-bromo-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylaniline
CID 161091904
[2-chloro-5-[(5S)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,5-dien-1-yl]hydrazine
CID 162558088
3-[3,4-bis(bromomethyl)phenyl]-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 58200076
4-[5-(3-amino-5-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 178099924

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine (CID 147939216) is 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine is NC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine?
The InChIKey is ILKAWHSBFMQGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3N2O/c11-6-1-5(2-7(12)3-6)9(10(13,14)15)4-8(16)17-18-9/h1-3H,4H2,(H2,16,17).
What are the key properties of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine?
5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine has a molecular weight of 299.08 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine is sourced from PubChem (CID 147939216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).