3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine

C21H18F2N4O2 — CID 89261653

IUPAC3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1C1CC(Cc2ccc(OCc3ccc(F)cn3)cc2F)=NO1
InChIInChI=1S/C21H18F2N4O2/c22-14-4-5-15(26-11-14)12-28-17-6-3-13(19(23)10-17)8-16-9-20(29-27-16)18-2-1-7-25-21(18)24/h1-7,10-11,20H,8-9,12H2,(H2,24,25)
InChIKeyDBJLWBXEGQLRRN-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.98
Rot. Bonds6

About 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 89261653) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID89261653
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1C1CC(Cc2ccc(OCc3ccc(F)cn3)cc2F)=NO1
InChIInChI=1S/C21H18F2N4O2/c22-14-4-5-15(26-11-14)12-28-17-6-3-13(19(23)10-17)8-16-9-20(29-27-16)18-2-1-7-25-21(18)24/h1-7,10-11,20H,8-9,12H2,(H2,24,25)
InChIKeyDBJLWBXEGQLRRN-UHFFFAOYSA-N
XLogP3.98
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine (CID 89261653) is 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1C1CC(Cc2ccc(OCc3ccc(F)cn3)cc2F)=NO1.
What is the InChIKey of 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is DBJLWBXEGQLRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c22-14-4-5-15(26-11-14)12-28-17-6-3-13(19(23)10-17)8-16-9-20(29-27-16)18-2-1-7-25-21(18)24/h1-7,10-11,20H,8-9,12H2,(H2,24,25).
What are the key properties of 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 396.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 89261653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).