4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole

C22H26N2O3 — CID 67592848

IUPAC4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole
SMILESCOc1ccccc1OCCCc1cccc2onc(C3CCNCC3)c12
InChIInChI=1S/C22H26N2O3/c1-25-18-8-2-3-9-19(18)26-15-5-7-16-6-4-10-20-21(16)22(24-27-20)17-11-13-23-14-12-17/h2-4,6,8-10,17,23H,5,7,11-15H2,1H3
InChIKeyWRLXFFAQPITKEV-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.32
Rot. Bonds7

About 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole

4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole (PubChem CID 67592848) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole.

Molecular Properties

Compound Name4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole
PubChem CID67592848
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole
SMILESCOc1ccccc1OCCCc1cccc2onc(C3CCNCC3)c12
InChIInChI=1S/C22H26N2O3/c1-25-18-8-2-3-9-19(18)26-15-5-7-16-6-4-10-20-21(16)22(24-27-20)17-11-13-23-14-12-17/h2-4,6,8-10,17,23H,5,7,11-15H2,1H3
InChIKeyWRLXFFAQPITKEV-UHFFFAOYSA-N
XLogP4.32
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole?
The IUPAC name of 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole (CID 67592848) is 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole.
What is the SMILES notation for 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole?
The canonical SMILES for 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole is COc1ccccc1OCCCc1cccc2onc(C3CCNCC3)c12.
What is the InChIKey of 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole?
The InChIKey is WRLXFFAQPITKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-25-18-8-2-3-9-19(18)26-15-5-7-16-6-4-10-20-21(16)22(24-27-20)17-11-13-23-14-12-17/h2-4,6,8-10,17,23H,5,7,11-15H2,1H3.
What are the key properties of 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole?
4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole has a molecular weight of 366.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenoxy)propyl]-3-piperidin-4-yl-1,2-benzoxazole is sourced from PubChem (CID 67592848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).