N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H12F2N2O2 — CID 50913999

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESFC(F)Oc1cccc(CNC2=NCCO2)c1
InChIInChI=1S/C11H12F2N2O2/c12-10(13)17-9-3-1-2-8(6-9)7-15-11-14-4-5-16-11/h1-3,6,10H,4-5,7H2,(H,14,15)
InChIKeyWVWAGICURZSINO-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.76
Rot. Bonds4

About N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine

N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 50913999) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID50913999
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESFC(F)Oc1cccc(CNC2=NCCO2)c1
InChIInChI=1S/C11H12F2N2O2/c12-10(13)17-9-3-1-2-8(6-9)7-15-11-14-4-5-16-11/h1-3,6,10H,4-5,7H2,(H,14,15)
InChIKeyWVWAGICURZSINO-UHFFFAOYSA-N
XLogP1.76
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 50913999) is N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine is FC(F)Oc1cccc(CNC2=NCCO2)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is WVWAGICURZSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-10(13)17-9-3-1-2-8(6-9)7-15-11-14-4-5-16-11/h1-3,6,10H,4-5,7H2,(H,14,15).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 242.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 50913999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).