4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine

C16H18F2N2O — CID 107186064

IUPAC4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
SMILESCC1(C)CCCC1c1onc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O/c1-16(2)7-3-4-11(16)14-13(15(19)20-21-14)10-6-5-9(17)8-12(10)18/h5-6,8,11H,3-4,7H2,1-2H3,(H2,19,20)
InChIKeyOVKOWSFQSUSLHK-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.50
Rot. Bonds2

About 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine

4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine (PubChem CID 107186064) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
PubChem CID107186064
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
SMILESCC1(C)CCCC1c1onc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O/c1-16(2)7-3-4-11(16)14-13(15(19)20-21-14)10-6-5-9(17)8-12(10)18/h5-6,8,11H,3-4,7H2,1-2H3,(H2,19,20)
InChIKeyOVKOWSFQSUSLHK-UHFFFAOYSA-N
XLogP4.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185949
4-(2-chlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185895
5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 107186032
5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66201888
5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66203816
4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine
CID 66199892
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199156

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine (CID 107186064) is 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine is CC1(C)CCCC1c1onc(N)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine?
The InChIKey is OVKOWSFQSUSLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-16(2)7-3-4-11(16)14-13(15(19)20-21-14)10-6-5-9(17)8-12(10)18/h5-6,8,11H,3-4,7H2,1-2H3,(H2,19,20).
What are the key properties of 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine?
4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine has a molecular weight of 292.33 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 107186064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).