1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine

C12H13FN2O — CID 115087279

IUPAC1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(-c2ccccc2F)o1
InChIInChI=1S/C12H13FN2O/c1-8(14)6-9-7-15-12(16-9)10-4-2-3-5-11(10)13/h2-5,7-8H,6,14H2,1H3
InChIKeyGWNRKACTMACLAQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.37
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine

1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine (PubChem CID 115087279) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine
PubChem CID115087279
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(-c2ccccc2F)o1
InChIInChI=1S/C12H13FN2O/c1-8(14)6-9-7-15-12(16-9)10-4-2-3-5-11(10)13/h2-5,7-8H,6,14H2,1H3
InChIKeyGWNRKACTMACLAQ-UHFFFAOYSA-N
XLogP2.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine (CID 115087279) is 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine is CC(N)Cc1cnc(-c2ccccc2F)o1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine?
The InChIKey is GWNRKACTMACLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8(14)6-9-7-15-12(16-9)10-4-2-3-5-11(10)13/h2-5,7-8H,6,14H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine?
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine has a molecular weight of 220.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine is sourced from PubChem (CID 115087279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).