2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole

C20H12N2O4 — CID 155662899

IUPAC2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(Oc4nc5ccccc5o4)cc3)nc2c1
InChIInChI=1S/C20H12N2O4/c1-3-7-17-15(5-1)21-19(25-17)23-13-9-11-14(12-10-13)24-20-22-16-6-2-4-8-18(16)26-20/h1-12H
InChIKeyJWZGTAFODHLXCB-UHFFFAOYSA-N
MW344.33 g/mol
LogP5.55
Rot. Bonds4

About 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole

2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole (PubChem CID 155662899) has the molecular formula C20H12N2O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
PubChem CID155662899
Molecular FormulaC20H12N2O4
Molecular Weight344.33 g/mol
Exact Mass344.08
IUPAC Name2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(Oc4nc5ccccc5o4)cc3)nc2c1
InChIInChI=1S/C20H12N2O4/c1-3-7-17-15(5-1)21-19(25-17)23-13-9-11-14(12-10-13)24-20-22-16-6-2-4-8-18(16)26-20/h1-12H
InChIKeyJWZGTAFODHLXCB-UHFFFAOYSA-N
XLogP5.55
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
CID 145224896
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
CID 154645805
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole
CID 11393104
2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole
CID 47079119
[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
CID 79869656
3-(1,3-benzoxazol-2-yloxy)-5-bromoaniline
CID 103589190
N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide
CID 47983061
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
CID 68999250
2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
CID 102703092
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-N-(cyclohexylmethyl)ethanamine
CID 67302482

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole (CID 155662899) is 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole is c1ccc2oc(Oc3ccc(Oc4nc5ccccc5o4)cc3)nc2c1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole?
The InChIKey is JWZGTAFODHLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4/c1-3-7-17-15(5-1)21-19(25-17)23-13-9-11-14(12-10-13)24-20-22-16-6-2-4-8-18(16)26-20/h1-12H.
What are the key properties of 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole?
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole has a molecular weight of 344.33 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole is sourced from PubChem (CID 155662899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).