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

C76H56Cl2F2N12O8 — CID 159385159

IUPAC4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESClc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.Clc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.Fc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.Fc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/2C19H14ClN3O2.2C19H14FN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15;20-15-7-2-1-5-13(15)12-24-16-8-3-9-17-18(16)19(23-25-17)22-14-6-4-10-21-11-14;20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15;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/h4*1-11H,12H2,(H,22,23)
InChIKeyLLKABUOLCFJKSR-UHFFFAOYSA-N
MW1374.26 g/mol
LogP19.77
Rot. Bonds20

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

4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 159385159) has the molecular formula C76H56Cl2F2N12O8 and a molecular weight of 1374.26 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID159385159
Molecular FormulaC76H56Cl2F2N12O8
Molecular Weight1374.26 g/mol
Exact Mass1372.37
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESClc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.Clc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.Fc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.Fc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/2C19H14ClN3O2.2C19H14FN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15;20-15-7-2-1-5-13(15)12-24-16-8-3-9-17-18(16)19(23-25-17)22-14-6-4-10-21-11-14;20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15;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/h4*1-11H,12H2,(H,22,23)
InChIKeyLLKABUOLCFJKSR-UHFFFAOYSA-N
XLogP19.77
TPSA240.72 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.26
LogP ≤ 519.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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

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Launch Full Analysis

Related Compounds

Sms2-IN-2
CID 134813905
4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409534
4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409692
4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409693
4-[(4-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139391357
4-[[5-chloro-2-(trifluoromethoxy)phenyl]methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409991
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
acetonitrile;5-chloropyridin-2-amine;3-(5-chloro-2-pyridinyl)-1-methyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]urea;deuterio(iodo)methane;N-methyl-3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propan-1-amine;N-methyl-N-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazole-1-carboxamide
CID 159211334
4-[(2-isocyanophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;3-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxymethyl]benzonitrile;4-[[3-(pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxymethyl]benzonitrile;N-pyridin-3-yl-4-[[4-(trifluoromethoxy)phenyl]methoxy]-1,2-benzoxazol-3-amine
CID 160618765
4-[(2-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[3-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-amine;N-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]methoxy]-1,2-benzoxazol-3-amine
CID 161735602
N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(diethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-(dimethylamino)acetamide;N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-pyrrolidin-1-ylacetamide;4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyrimidin-5-yl-1,2-benzoxazol-3-amine
CID 157306575
4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(5-chloro-2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-ethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(2-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 157576839

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 159385159) is 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Clc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.Clc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.Fc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.Fc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is LLKABUOLCFJKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14ClN3O2.2C19H14FN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15;20-15-7-2-1-5-13(15)12-24-16-8-3-9-17-18(16)19(23-25-17)22-14-6-4-10-21-11-14;20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15;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/h4*1-11H,12H2,(H,22,23).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 1374.26 g/mol, XLogP of 19.77, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine;4-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 159385159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).