6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole

C24H21ClN2O3 — CID 122182660

IUPAC6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole
SMILESClc1ccc(Oc2ccc3nc(-c4ccc(OC5CCNCC5)cc4)oc3c2)cc1
InChIInChI=1S/C24H21ClN2O3/c25-17-3-7-19(8-4-17)29-21-9-10-22-23(15-21)30-24(27-22)16-1-5-18(6-2-16)28-20-11-13-26-14-12-20/h1-10,15,20,26H,11-14H2
InChIKeyPVQRNTPOHMALTF-UHFFFAOYSA-N
MW420.90 g/mol
LogP6.07
Rot. Bonds5

About 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole

6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole (PubChem CID 122182660) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole
PubChem CID122182660
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole
SMILESClc1ccc(Oc2ccc3nc(-c4ccc(OC5CCNCC5)cc4)oc3c2)cc1
InChIInChI=1S/C24H21ClN2O3/c25-17-3-7-19(8-4-17)29-21-9-10-22-23(15-21)30-24(27-22)16-1-5-18(6-2-16)28-20-11-13-26-14-12-20/h1-10,15,20,26H,11-14H2
InChIKeyPVQRNTPOHMALTF-UHFFFAOYSA-N
XLogP6.07
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole?
The IUPAC name of 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole (CID 122182660) is 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole?
The canonical SMILES for 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole is Clc1ccc(Oc2ccc3nc(-c4ccc(OC5CCNCC5)cc4)oc3c2)cc1.
What is the InChIKey of 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole?
The InChIKey is PVQRNTPOHMALTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-17-3-7-19(8-4-17)29-21-9-10-22-23(15-21)30-24(27-22)16-1-5-18(6-2-16)28-20-11-13-26-14-12-20/h1-10,15,20,26H,11-14H2.
What are the key properties of 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole?
6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole has a molecular weight of 420.90 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole is sourced from PubChem (CID 122182660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).