4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C79H65ClN12O8 — CID 158897054

IUPAC4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESCc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.Cc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.Cc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.Clc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
InChIInChI=1S/3C20H17N3O2.C19H14ClN3O2/c1-14-5-2-6-15(11-14)13-24-17-8-3-9-18-19(17)20(23-25-18)22-16-7-4-10-21-12-16;1-14-7-9-15(10-8-14)13-24-17-5-2-6-18-19(17)20(23-25-18)22-16-4-3-11-21-12-16;1-14-6-2-3-7-15(14)13-24-17-9-4-10-18-19(17)20(23-25-18)22-16-8-5-11-21-12-16;20-14-8-6-13(7-9-14)12-24-16-4-1-5-17-18(16)19(23-25-17)22-15-3-2-10-21-11-15/h3*2-12H,13H2,1H3,(H,22,23);1-11H,12H2,(H,22,23)
InChIKeyJEYSCAOLAYIPJI-UHFFFAOYSA-N
MW1345.92 g/mol
LogP19.76
Rot. Bonds20

About 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 158897054) has the molecular formula C79H65ClN12O8 and a molecular weight of 1345.92 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID158897054
Molecular FormulaC79H65ClN12O8
Molecular Weight1345.92 g/mol
Exact Mass1344.47
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESCc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.Cc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.Cc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.Clc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
InChIInChI=1S/3C20H17N3O2.C19H14ClN3O2/c1-14-5-2-6-15(11-14)13-24-17-8-3-9-18-19(17)20(23-25-18)22-16-7-4-10-21-12-16;1-14-7-9-15(10-8-14)13-24-17-5-2-6-18-19(17)20(23-25-18)22-16-4-3-11-21-12-16;1-14-6-2-3-7-15(14)13-24-17-9-4-10-18-19(17)20(23-25-18)22-16-8-5-11-21-12-16;20-14-8-6-13(7-9-14)12-24-16-4-1-5-17-18(16)19(23-25-17)22-15-3-2-10-21-11-15/h3*2-12H,13H2,1H3,(H,22,23);1-11H,12H2,(H,22,23)
InChIKeyJEYSCAOLAYIPJI-UHFFFAOYSA-N
XLogP19.76
TPSA240.72 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.92
LogP ≤ 519.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 158897054) is 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Cc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.Cc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.Cc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.Clc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is JEYSCAOLAYIPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H17N3O2.C19H14ClN3O2/c1-14-5-2-6-15(11-14)13-24-17-8-3-9-18-19(17)20(23-25-18)22-16-7-4-10-21-12-16;1-14-7-9-15(10-8-14)13-24-17-5-2-6-18-19(17)20(23-25-18)22-16-4-3-11-21-12-16;1-14-6-2-3-7-15(14)13-24-17-9-4-10-18-19(17)20(23-25-18)22-16-8-5-11-21-12-16;20-14-8-6-13(7-9-14)12-24-16-4-1-5-17-18(16)19(23-25-17)22-15-3-2-10-21-11-15/h3*2-12H,13H2,1H3,(H,22,23);1-11H,12H2,(H,22,23).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 1345.92 g/mol, XLogP of 19.76, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 158897054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).