N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C14H15FN2O2 — CID 102885629

IUPACN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2nc(CNC3CC3)co2)c(F)c1
InChIInChI=1S/C14H15FN2O2/c1-18-11-4-5-12(13(15)6-11)14-17-10(8-19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3
InChIKeyGVOFDMXXARFVNU-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.74
Rot. Bonds5

About N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 102885629) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID102885629
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2nc(CNC3CC3)co2)c(F)c1
InChIInChI=1S/C14H15FN2O2/c1-18-11-4-5-12(13(15)6-11)14-17-10(8-19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3
InChIKeyGVOFDMXXARFVNU-UHFFFAOYSA-N
XLogP2.74
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 102885629) is N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is COc1ccc(-c2nc(CNC3CC3)co2)c(F)c1.
What is the InChIKey of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is GVOFDMXXARFVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-18-11-4-5-12(13(15)6-11)14-17-10(8-19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3.
What are the key properties of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 262.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102885629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).