N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine

C17H23FN2O — CID 56662465

IUPACN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
SMILESCCCN(Cc1coc(-c2cccc(F)c2)n1)C(C)CC
InChIInChI=1S/C17H23FN2O/c1-4-9-20(13(3)5-2)11-16-12-21-17(19-16)14-7-6-8-15(18)10-14/h6-8,10,12-13H,4-5,9,11H2,1-3H3
InChIKeyWFXRCDYDANTLHP-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.49
Rot. Bonds7

About N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine (PubChem CID 56662465) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
PubChem CID56662465
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
SMILESCCCN(Cc1coc(-c2cccc(F)c2)n1)C(C)CC
InChIInChI=1S/C17H23FN2O/c1-4-9-20(13(3)5-2)11-16-12-21-17(19-16)14-7-6-8-15(18)10-14/h6-8,10,12-13H,4-5,9,11H2,1-3H3
InChIKeyWFXRCDYDANTLHP-UHFFFAOYSA-N
XLogP4.49
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine (CID 56662465) is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine is CCCN(Cc1coc(-c2cccc(F)c2)n1)C(C)CC.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine?
The InChIKey is WFXRCDYDANTLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-9-20(13(3)5-2)11-16-12-21-17(19-16)14-7-6-8-15(18)10-14/h6-8,10,12-13H,4-5,9,11H2,1-3H3.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine?
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine has a molecular weight of 290.38 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine is sourced from PubChem (CID 56662465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).