[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine

C11H7F5N2O — CID 98021505

IUPAC[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1c(C(F)(F)F)noc1-c1ccc(F)cc1F
InChIInChI=1S/C11H7F5N2O/c12-5-1-2-6(8(13)3-5)9-7(4-17)10(18-19-9)11(14,15)16/h1-3H,4,17H2
InChIKeyFGEJJZVUXNSVNK-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.10
Rot. Bonds2

About [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine

[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 98021505) has the molecular formula C11H7F5N2O and a molecular weight of 278.18 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
PubChem CID98021505
Molecular FormulaC11H7F5N2O
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1c(C(F)(F)F)noc1-c1ccc(F)cc1F
InChIInChI=1S/C11H7F5N2O/c12-5-1-2-6(8(13)3-5)9-7(4-17)10(18-19-9)11(14,15)16/h1-3H,4,17H2
InChIKeyFGEJJZVUXNSVNK-UHFFFAOYSA-N
XLogP3.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine (CID 98021505) is [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine is NCc1c(C(F)(F)F)noc1-c1ccc(F)cc1F.
What is the InChIKey of [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is FGEJJZVUXNSVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O/c12-5-1-2-6(8(13)3-5)9-7(4-17)10(18-19-9)11(14,15)16/h1-3H,4,17H2.
What are the key properties of [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine?
[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 278.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 98021505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).