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

C14H15FN2O — CID 103167415

IUPAC5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c15-11-6-4-10(5-7-11)13-12(18-17-14(13)16)8-9-2-1-3-9/h4-7,9H,1-3,8H2,(H2,16,17)
InChIKeyGNYUYJSVNFOSTL-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.41
Rot. Bonds3

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

5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 103167415) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID103167415
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c15-11-6-4-10(5-7-11)13-12(18-17-14(13)16)8-9-2-1-3-9/h4-7,9H,1-3,8H2,(H2,16,17)
InChIKeyGNYUYJSVNFOSTL-UHFFFAOYSA-N
XLogP3.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 114459367
4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
CID 66200930
5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
CID 66198710
5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 103167465
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198936
5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 103167445
5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 66204000
5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199268
4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine
CID 66200452
4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine
CID 66199720
4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine
CID 103167459
5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198154

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine (CID 103167415) is 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(CC2CCC2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is GNYUYJSVNFOSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-11-6-4-10(5-7-11)13-12(18-17-14(13)16)8-9-2-1-3-9/h4-7,9H,1-3,8H2,(H2,16,17).
What are the key properties of 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 246.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 103167415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).