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

C23H20FN3O3 — CID 148913175

IUPAC3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cc2F)cc1
InChIInChI=1S/C23H20FN3O3/c1-28-18-7-4-15(5-8-18)14-29-21-9-6-16(12-20(21)24)11-17-13-22(30-27-17)19-3-2-10-26-23(19)25/h2-10,12-13H,11,14H2,1H3,(H2,25,26)
InChIKeyPJAOXRBHUMXASK-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.64
Rot. Bonds7

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

3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 148913175) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID148913175
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCOc1ccc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cc2F)cc1
InChIInChI=1S/C23H20FN3O3/c1-28-18-7-4-15(5-8-18)14-29-21-9-6-16(12-20(21)24)11-17-13-22(30-27-17)19-3-2-10-26-23(19)25/h2-10,12-13H,11,14H2,1H3,(H2,25,26)
InChIKeyPJAOXRBHUMXASK-UHFFFAOYSA-N
XLogP4.64
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255147
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-[(5-fluoro-3-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682375
3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 155375618
3-[3-[(4-phenoxyphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 67130843
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682184
3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine
CID 68874259
3-[3-[[6-[3-(4-phenylmethoxyphenyl)propoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682477
3-[3-[[6-[1-(2-fluorophenyl)ethoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682482
5-[[5-(2-amino-3-pyridinyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(2-fluorophenyl)pyridin-2-amine
CID 138682287

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 148913175) is 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is COc1ccc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cc2F)cc1.
What is the InChIKey of 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is PJAOXRBHUMXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-28-18-7-4-15(5-8-18)14-29-21-9-6-16(12-20(21)24)11-17-13-22(30-27-17)19-3-2-10-26-23(19)25/h2-10,12-13H,11,14H2,1H3,(H2,25,26).
What are the key properties of 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 405.43 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 148913175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).