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

C10H6Cl2F4N2O — CID 164873478

IUPAC5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
SMILESNC1=NOC(c2cc(Cl)c(F)c(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C10H6Cl2F4N2O/c11-5-1-4(2-6(12)8(5)13)9(10(14,15)16)3-7(17)18-19-9/h1-2H,3H2,(H2,17,18)
InChIKeyPLURXXZGFRGACW-UHFFFAOYSA-N
MW317.07 g/mol
LogP3.58
Rot. Bonds1

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

5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine (PubChem CID 164873478) has the molecular formula C10H6Cl2F4N2O and a molecular weight of 317.07 g/mol. Its IUPAC name is 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
PubChem CID164873478
Molecular FormulaC10H6Cl2F4N2O
Molecular Weight317.07 g/mol
Exact Mass315.98
IUPAC Name5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
SMILESNC1=NOC(c2cc(Cl)c(F)c(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C10H6Cl2F4N2O/c11-5-1-4(2-6(12)8(5)13)9(10(14,15)16)3-7(17)18-19-9/h1-2H,3H2,(H2,17,18)
InChIKeyPLURXXZGFRGACW-UHFFFAOYSA-N
XLogP3.58
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.07
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
CID 147939216
3-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 154015198
5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 141313211
(5R)-5-(3,5-dichloro-4-fluorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 71679649
(5S)-5-(3,5-dichloro-4-fluorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 71679810
5-(3,5-dichloro-4-fluorophenyl)-3-[4-(3-fluoro-1-methylazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 88582363
5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 167507710
[7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-4-yl]methanol
CID 121438020
3-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
CID 71471634
1-[2-chloro-5-[5-(3-chloro-4-fluoro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-1-methylhydrazine
CID 144772473
5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine
CID 123673594
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1-benzothiophene-7-carboxylic acid
CID 146303343

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine (CID 164873478) is 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine is NC1=NOC(c2cc(Cl)c(F)c(Cl)c2)(C(F)(F)F)C1.
What is the InChIKey of 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine?
The InChIKey is PLURXXZGFRGACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F4N2O/c11-5-1-4(2-6(12)8(5)13)9(10(14,15)16)3-7(17)18-19-9/h1-2H,3H2,(H2,17,18).
What are the key properties of 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine?
5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine has a molecular weight of 317.07 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine is sourced from PubChem (CID 164873478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).