3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine

C16H12Cl2F4N2O — CID 163808985

IUPAC3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=C(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)C=CC1F
InChIInChI=1S/C16H12Cl2F4N2O/c17-10-4-9(5-11(18)6-10)15(16(20,21)22)7-14(24-25-15)8-1-2-12(19)13(23)3-8/h1-6,12-13H,7,23H2
InChIKeyNLPFUWGOPXKULL-UHFFFAOYSA-N
MW395.18 g/mol
LogP4.69
Rot. Bonds2

About 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine

3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 163808985) has the molecular formula C16H12Cl2F4N2O and a molecular weight of 395.18 g/mol. Its IUPAC name is 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine
PubChem CID163808985
Molecular FormulaC16H12Cl2F4N2O
Molecular Weight395.18 g/mol
Exact Mass394.03
IUPAC Name3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=C(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)C=CC1F
InChIInChI=1S/C16H12Cl2F4N2O/c17-10-4-9(5-11(18)6-10)15(16(20,21)22)7-14(24-25-15)8-1-2-12(19)13(23)3-8/h1-6,12-13H,7,23H2
InChIKeyNLPFUWGOPXKULL-UHFFFAOYSA-N
XLogP4.69
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
CID 147939216
3-(cyclohexen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 141349448
5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 58223544
5-(3,5-dichlorophenyl)-3-indolizin-5-yl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 141440591
[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]hydrazine
CID 58533510
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]cyclohexa-1,3-dien-1-amine
CID 162600017
5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane
CID 161326009
[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-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl 2-chloroacetate
CID 87498499
5-(3,5-dichlorophenyl)-3-(3-methyl-4-methylsulfinylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 89216805
3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 71468944

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine (CID 163808985) is 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine is NC1C=C(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)C=CC1F.
What is the InChIKey of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is NLPFUWGOPXKULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F4N2O/c17-10-4-9(5-11(18)6-10)15(16(20,21)22)7-14(24-25-15)8-1-2-12(19)13(23)3-8/h1-6,12-13H,7,23H2.
What are the key properties of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine?
3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 395.18 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-6-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163808985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).