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

C13H13FN2O — CID 54977909

IUPAC3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CCC2)c1-c1ccccc1F
InChIInChI=1S/C13H13FN2O/c14-10-7-2-1-6-9(10)11-12(8-4-3-5-8)16-17-13(11)15/h1-2,6-8H,3-5,15H2
InChIKeyDNOMPNBBFXNSRU-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.33
Rot. Bonds2

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

3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 54977909) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID54977909
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CCC2)c1-c1ccccc1F
InChIInChI=1S/C13H13FN2O/c14-10-7-2-1-6-9(10)11-12(8-4-3-5-8)16-17-13(11)15/h1-2,6-8H,3-5,15H2
InChIKeyDNOMPNBBFXNSRU-UHFFFAOYSA-N
XLogP3.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107001956
3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 62588706
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969
5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199156
4-(5-chloro-2-methoxyphenyl)-3-cyclopentyl-1,2-oxazol-5-amine
CID 43336109
3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
CID 63015258
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 82081360
4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79213593
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine (CID 54977909) is 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(C2CCC2)c1-c1ccccc1F.
What is the InChIKey of 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is DNOMPNBBFXNSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-10-7-2-1-6-9(10)11-12(8-4-3-5-8)16-17-13(11)15/h1-2,6-8H,3-5,15H2.
What are the key properties of 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 232.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 54977909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).