3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C20H16N4O — CID 138682184

IUPAC3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(-c3ccccn3)cc2)no1
InChIInChI=1S/C20H16N4O/c21-20-17(4-3-11-23-20)19-13-16(24-25-19)12-14-6-8-15(9-7-14)18-5-1-2-10-22-18/h1-11,13H,12H2,(H2,21,23)
InChIKeyIFKWDLREMODPCS-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.97
Rot. Bonds4

About 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682184) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682184
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(-c3ccccn3)cc2)no1
InChIInChI=1S/C20H16N4O/c21-20-17(4-3-11-23-20)19-13-16(24-25-19)12-14-6-8-15(9-7-14)18-5-1-2-10-22-18/h1-11,13H,12H2,(H2,21,23)
InChIKeyIFKWDLREMODPCS-UHFFFAOYSA-N
XLogP3.97
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(4-phenoxyphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 67130843
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-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255147
ethane;3-[3-[[4-[(E)-2-methyl-4-methyliminobut-2-enoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 143451276
3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 155375618
3-[3-[[4-[2-(4-chloro-1,3-thiazol-2-yl)ethyl]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 157367831
3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682131
3-[3-[[6-[(2S)-2-phenylazetidin-1-yl]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682214
3-[3-[[4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682375
5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine
CID 138682287
3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682145

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682184) is 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(-c3ccccn3)cc2)no1.
What is the InChIKey of 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is IFKWDLREMODPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-20-17(4-3-11-23-20)19-13-16(24-25-19)12-14-6-8-15(9-7-14)18-5-1-2-10-22-18/h1-11,13H,12H2,(H2,21,23).
What are the key properties of 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 328.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).