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

C10H5Cl2F3N2O — CID 21217091

IUPAC4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine
SMILESNc1oc(C(F)(F)F)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H5Cl2F3N2O/c11-5-1-4(2-6(12)3-5)7-8(16)18-9(17-7)10(13,14)15/h1-3H,16H2
InChIKeyFZVZGUWMHMVDEE-UHFFFAOYSA-N
MW297.06 g/mol
LogP4.25
Rot. Bonds1

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

4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine (PubChem CID 21217091) has the molecular formula C10H5Cl2F3N2O and a molecular weight of 297.06 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine
PubChem CID21217091
Molecular FormulaC10H5Cl2F3N2O
Molecular Weight297.06 g/mol
Exact Mass295.97
IUPAC Name4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine
SMILESNc1oc(C(F)(F)F)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H5Cl2F3N2O/c11-5-1-4(2-6(12)3-5)7-8(16)18-9(17-7)10(13,14)15/h1-3H,16H2
InChIKeyFZVZGUWMHMVDEE-UHFFFAOYSA-N
XLogP4.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.06
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine (CID 21217091) is 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine is Nc1oc(C(F)(F)F)nc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine?
The InChIKey is FZVZGUWMHMVDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2O/c11-5-1-4(2-6(12)3-5)7-8(16)18-9(17-7)10(13,14)15/h1-3H,16H2.
What are the key properties of 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine?
4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine has a molecular weight of 297.06 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 21217091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).