2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole

C23H19Cl2NO2 — CID 91678654

IUPAC2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1ccc2oc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2c1
InChIInChI=1S/C23H19Cl2NO2/c1-14(2)16-6-10-22-21(11-16)26-23(28-22)15-4-8-19(9-5-15)27-13-17-3-7-18(24)12-20(17)25/h3-12,14H,13H2,1-2H3
InChIKeyZUTPXKOFWNBHCX-UHFFFAOYSA-N
MW412.32 g/mol
LogP7.50
Rot. Bonds5

About 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole

2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole (PubChem CID 91678654) has the molecular formula C23H19Cl2NO2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole
PubChem CID91678654
Molecular FormulaC23H19Cl2NO2
Molecular Weight412.32 g/mol
Exact Mass411.08
IUPAC Name2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1ccc2oc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2c1
InChIInChI=1S/C23H19Cl2NO2/c1-14(2)16-6-10-22-21(11-16)26-23(28-22)15-4-8-19(9-5-15)27-13-17-3-7-18(24)12-20(17)25/h3-12,14H,13H2,1-2H3
InChIKeyZUTPXKOFWNBHCX-UHFFFAOYSA-N
XLogP7.50
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3498048
2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2286309
2,4-dichloro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127512
2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23991548
4-chloro-2-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenol
CID 135760691
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1324569
CID 170846881
CID 170846881
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23096495
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
2,4-dichloro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2269192

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole (CID 91678654) is 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole is CC(C)c1ccc2oc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2c1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole?
The InChIKey is ZUTPXKOFWNBHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO2/c1-14(2)16-6-10-22-21(11-16)26-23(28-22)15-4-8-19(9-5-15)27-13-17-3-7-18(24)12-20(17)25/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole?
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole has a molecular weight of 412.32 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 91678654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).