4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine

C80H65F3N12O12 — CID 158713635

IUPAC4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine
SMILESCOc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.COc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.COc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.FC(F)(F)Oc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C20H14F3N3O3.3C20H17N3O3/c21-20(22,23)28-15-6-1-4-13(10-15)12-27-16-7-2-8-17-18(16)19(26-29-17)25-14-5-3-9-24-11-14;1-24-16-7-2-5-14(11-16)13-25-17-8-3-9-18-19(17)20(23-26-18)22-15-6-4-10-21-12-15;1-24-16-9-7-14(8-10-16)13-25-17-5-2-6-18-19(17)20(23-26-18)22-15-4-3-11-21-12-15;1-24-16-8-3-2-6-14(16)13-25-17-9-4-10-18-19(17)20(23-26-18)22-15-7-5-11-21-12-15/h1-11H,12H2,(H,25,26);3*2-12H,13H2,1H3,(H,22,23)
InChIKeyIJAOTBYKPGFPIP-UHFFFAOYSA-N
MW1443.47 g/mol
LogP19.11
Rot. Bonds24

About 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine

4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine (PubChem CID 158713635) has the molecular formula C80H65F3N12O12 and a molecular weight of 1443.47 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine
PubChem CID158713635
Molecular FormulaC80H65F3N12O12
Molecular Weight1443.47 g/mol
Exact Mass1442.48
IUPAC Name4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine
SMILESCOc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.COc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.COc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.FC(F)(F)Oc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C20H14F3N3O3.3C20H17N3O3/c21-20(22,23)28-15-6-1-4-13(10-15)12-27-16-7-2-8-17-18(16)19(26-29-17)25-14-5-3-9-24-11-14;1-24-16-7-2-5-14(11-16)13-25-17-8-3-9-18-19(17)20(23-26-18)22-15-6-4-10-21-12-15;1-24-16-9-7-14(8-10-16)13-25-17-5-2-6-18-19(17)20(23-26-18)22-15-4-3-11-21-12-15;1-24-16-8-3-2-6-14(16)13-25-17-9-4-10-18-19(17)20(23-26-18)22-15-7-5-11-21-12-15/h1-11H,12H2,(H,25,26);3*2-12H,13H2,1H3,(H,22,23)
InChIKeyIJAOTBYKPGFPIP-UHFFFAOYSA-N
XLogP19.11
TPSA277.64 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.47
LogP ≤ 519.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine with MolForge

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Related Compounds

4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409539
4-[(2-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409691
4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409729
4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409731
4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409734
N-pyridin-3-yl-4-[[2-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine
CID 139409737
4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409694
N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine
CID 139409732
4-[(2-phenyl-4-pyridinyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139391367
4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409726
N-pyridin-3-yl-4-[[4-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine
CID 139409733
4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409978

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine (CID 158713635) is 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine is COc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.COc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.COc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.FC(F)(F)Oc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.
What is the InChIKey of 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine?
The InChIKey is IJAOTBYKPGFPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3.3C20H17N3O3/c21-20(22,23)28-15-6-1-4-13(10-15)12-27-16-7-2-8-17-18(16)19(26-29-17)25-14-5-3-9-24-11-14;1-24-16-7-2-5-14(11-16)13-25-17-8-3-9-18-19(17)20(23-26-18)22-15-6-4-10-21-12-15;1-24-16-9-7-14(8-10-16)13-25-17-5-2-6-18-19(17)20(23-26-18)22-15-4-3-11-21-12-15;1-24-16-8-3-2-6-14(16)13-25-17-9-4-10-18-19(17)20(23-26-18)22-15-7-5-11-21-12-15/h1-11H,12H2,(H,25,26);3*2-12H,13H2,1H3,(H,22,23).
What are the key properties of 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine?
4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine has a molecular weight of 1443.47 g/mol, XLogP of 19.11, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 158713635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).