3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C20H16BrN5O2 — CID 138682298

IUPAC3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCc3cccc(Br)n3)nc2)no1
InChIInChI=1S/C20H16BrN5O2/c21-18-5-1-3-14(25-18)12-27-19-7-6-13(11-24-19)9-15-10-17(28-26-15)16-4-2-8-23-20(16)22/h1-8,10-11H,9,12H2,(H2,22,23)
InChIKeyLSUQXYRLLAARSK-UHFFFAOYSA-N
MW438.29 g/mol
LogP4.04
Rot. Bonds6

About 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682298) has the molecular formula C20H16BrN5O2 and a molecular weight of 438.29 g/mol. Its IUPAC name is 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682298
Molecular FormulaC20H16BrN5O2
Molecular Weight438.29 g/mol
Exact Mass437.05
IUPAC Name3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCc3cccc(Br)n3)nc2)no1
InChIInChI=1S/C20H16BrN5O2/c21-18-5-1-3-14(25-18)12-27-19-7-6-13(11-24-19)9-15-10-17(28-26-15)16-4-2-8-23-20(16)22/h1-8,10-11H,9,12H2,(H2,22,23)
InChIKeyLSUQXYRLLAARSK-UHFFFAOYSA-N
XLogP4.04
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[3-[[6-[(2-bromo-4-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682075
3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682443
3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682145
3-[3-[[6-[3-(4-phenylmethoxyphenyl)propoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682477
3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682131
3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682482
3-[3-[[4-(phenoxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255496
3-[3-[[4-[(2,6-difluoro-4-pyridinyl)methyl]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682322
3-[3-[(4-phenoxyphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 67130843
3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255147
3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682214
3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682184

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682298) is 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(OCc3cccc(Br)n3)nc2)no1.
What is the InChIKey of 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is LSUQXYRLLAARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c21-18-5-1-3-14(25-18)12-27-19-7-6-13(11-24-19)9-15-10-17(28-26-15)16-4-2-8-23-20(16)22/h1-8,10-11H,9,12H2,(H2,22,23).
What are the key properties of 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 438.29 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-[(6-bromo-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).