2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine

C11H9F4N3O — CID 103946610

IUPAC2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
SMILESCc1cnc(C(C)Nc2c(F)c(F)nc(F)c2F)o1
InChIInChI=1S/C11H9F4N3O/c1-4-3-16-11(19-4)5(2)17-8-6(12)9(14)18-10(15)7(8)13/h3,5H,1-2H3,(H,17,18)
InChIKeyDIXDEZXCJCLZDT-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.11
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine (PubChem CID 103946610) has the molecular formula C11H9F4N3O and a molecular weight of 275.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
PubChem CID103946610
Molecular FormulaC11H9F4N3O
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Name2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
SMILESCc1cnc(C(C)Nc2c(F)c(F)nc(F)c2F)o1
InChIInChI=1S/C11H9F4N3O/c1-4-3-16-11(19-4)5(2)17-8-6(12)9(14)18-10(15)7(8)13/h3,5H,1-2H3,(H,17,18)
InChIKeyDIXDEZXCJCLZDT-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 104844331
6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106390392
3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazin-2-amine
CID 106388768
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 106387593
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633
2-(difluoromethyl)-5-methyl-1,3-oxazole
CID 123421285
5-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 106388852
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946658
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
CID 106387738
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine (CID 103946610) is 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine is Cc1cnc(C(C)Nc2c(F)c(F)nc(F)c2F)o1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine?
The InChIKey is DIXDEZXCJCLZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c1-4-3-16-11(19-4)5(2)17-8-6(12)9(14)18-10(15)7(8)13/h3,5H,1-2H3,(H,17,18).
What are the key properties of 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine has a molecular weight of 275.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 103946610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).