3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine

C14H15FN2O — CID 107001956

IUPAC3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESCC1(C)CC1c1noc(N)c1-c1ccccc1F
InChIInChI=1S/C14H15FN2O/c1-14(2)7-9(14)12-11(13(16)18-17-12)8-5-3-4-6-10(8)15/h3-6,9H,7,16H2,1-2H3
InChIKeyCALXEJMELXZBEH-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.58
Rot. Bonds2

About 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine

3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 107001956) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID107001956
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESCC1(C)CC1c1noc(N)c1-c1ccccc1F
InChIInChI=1S/C14H15FN2O/c1-14(2)7-9(14)12-11(13(16)18-17-12)8-5-3-4-6-10(8)15/h3-6,9H,7,16H2,1-2H3
InChIKeyCALXEJMELXZBEH-UHFFFAOYSA-N
XLogP3.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 54977909
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 107001966
3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107001962
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79213593
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
CID 107179712
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199156
3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine
CID 107001969

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine (CID 107001956) is 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine is CC1(C)CC1c1noc(N)c1-c1ccccc1F.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is CALXEJMELXZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-14(2)7-9(14)12-11(13(16)18-17-12)8-5-3-4-6-10(8)15/h3-6,9H,7,16H2,1-2H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 246.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107001956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).