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

C21H19FN4O2 — CID 89261608

IUPAC5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ccc(C2CC(Cc3ccc(OCc4ccc(F)cn4)cc3)=NO2)cn1
InChIInChI=1S/C21H19FN4O2/c22-16-4-5-17(24-12-16)13-27-19-6-1-14(2-7-19)9-18-10-20(28-26-18)15-3-8-21(23)25-11-15/h1-8,11-12,20H,9-10,13H2,(H2,23,25)
InChIKeyYBOVRTVKJMMNCY-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.84
Rot. Bonds6

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

5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 89261608) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID89261608
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ccc(C2CC(Cc3ccc(OCc4ccc(F)cn4)cc3)=NO2)cn1
InChIInChI=1S/C21H19FN4O2/c22-16-4-5-17(24-12-16)13-27-19-6-1-14(2-7-19)9-18-10-20(28-26-18)15-3-8-21(23)25-11-15/h1-8,11-12,20H,9-10,13H2,(H2,23,25)
InChIKeyYBOVRTVKJMMNCY-UHFFFAOYSA-N
XLogP3.84
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine (CID 89261608) is 5-[3-[[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 5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ccc(C2CC(Cc3ccc(OCc4ccc(F)cn4)cc3)=NO2)cn1.
What is the InChIKey of 5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is YBOVRTVKJMMNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-16-4-5-17(24-12-16)13-27-19-6-1-14(2-7-19)9-18-10-20(28-26-18)15-3-8-21(23)25-11-15/h1-8,11-12,20H,9-10,13H2,(H2,23,25).
What are the key properties of 5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine?
5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 378.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 89261608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).