5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine

C16H13Cl2F3N2O — CID 162600017

IUPAC5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=CC(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)C1
InChIInChI=1S/C16H13Cl2F3N2O/c17-11-5-10(6-12(18)7-11)15(16(19,20)21)8-14(23-24-15)9-2-1-3-13(22)4-9/h1-3,5-7,9H,4,8,22H2
InChIKeyHHPZOWBOXNDVJY-UHFFFAOYSA-N
MW377.19 g/mol
LogP4.95
Rot. Bonds2

About 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 162600017) has the molecular formula C16H13Cl2F3N2O and a molecular weight of 377.19 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine
PubChem CID162600017
Molecular FormulaC16H13Cl2F3N2O
Molecular Weight377.19 g/mol
Exact Mass376.04
IUPAC Name5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=CC(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)C1
InChIInChI=1S/C16H13Cl2F3N2O/c17-11-5-10(6-12(18)7-11)15(16(19,20)21)8-14(23-24-15)9-2-1-3-13(22)4-9/h1-3,5-7,9H,4,8,22H2
InChIKeyHHPZOWBOXNDVJY-UHFFFAOYSA-N
XLogP4.95
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine (CID 162600017) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine is NC1=CC=CC(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)C1.
What is the InChIKey of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is HHPZOWBOXNDVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O/c17-11-5-10(6-12(18)7-11)15(16(19,20)21)8-14(23-24-15)9-2-1-3-13(22)4-9/h1-3,5-7,9H,4,8,22H2.
What are the key properties of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine?
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 377.19 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 162600017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).