3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine

C16H19FN2O2 — CID 103164211

IUPAC3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESCCOC1CC(Cc2noc(N)c2-c2cccc(F)c2)C1
InChIInChI=1S/C16H19FN2O2/c1-2-20-13-6-10(7-13)8-14-15(16(18)21-19-14)11-4-3-5-12(17)9-11/h3-5,9-10,13H,2,6-8,18H2,1H3
InChIKeyIPFFLERPOFRGOE-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.42
Rot. Bonds5

About 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine

3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 103164211) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID103164211
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine
SMILESCCOC1CC(Cc2noc(N)c2-c2cccc(F)c2)C1
InChIInChI=1S/C16H19FN2O2/c1-2-20-13-6-10(7-13)8-14-15(16(18)21-19-14)11-4-3-5-12(17)9-11/h3-5,9-10,13H,2,6-8,18H2,1H3
InChIKeyIPFFLERPOFRGOE-UHFFFAOYSA-N
XLogP3.42
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-5-amine
CID 103164213
3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2-oxazol-5-amine
CID 103164225
5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199575
4-(3-fluorophenyl)-3-(2,4,5-trimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 65153153
3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 43158288
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 54959424
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-amine
CID 103166250
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124
4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43336038
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 66396128
3-(cyclobutylmethyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 103163980

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine (CID 103164211) is 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine is CCOC1CC(Cc2noc(N)c2-c2cccc(F)c2)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is IPFFLERPOFRGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-20-13-6-10(7-13)8-14-15(16(18)21-19-14)11-4-3-5-12(17)9-11/h3-5,9-10,13H,2,6-8,18H2,1H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine?
3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 290.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-4-(3-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 103164211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).