6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole

C27H34FN3O3 — CID 164611906

IUPAC6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCCOc4ccc(CN5CCOCC5)cc4)CC3)noc2c1
InChIInChI=1S/C27H34FN3O3/c28-23-5-8-25-26(19-23)34-29-27(25)22-9-12-30(13-10-22)11-1-2-16-33-24-6-3-21(4-7-24)20-31-14-17-32-18-15-31/h3-8,19,22H,1-2,9-18,20H2
InChIKeyRIDMUSSNFOKJBO-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.84
Rot. Bonds9

About 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 164611906) has the molecular formula C27H34FN3O3 and a molecular weight of 467.59 g/mol. Its IUPAC name is 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID164611906
Molecular FormulaC27H34FN3O3
Molecular Weight467.59 g/mol
Exact Mass467.26
IUPAC Name6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCCOc4ccc(CN5CCOCC5)cc4)CC3)noc2c1
InChIInChI=1S/C27H34FN3O3/c28-23-5-8-25-26(19-23)34-29-27(25)22-9-12-30(13-10-22)11-1-2-16-33-24-6-3-21(4-7-24)20-31-14-17-32-18-15-31/h3-8,19,22H,1-2,9-18,20H2
InChIKeyRIDMUSSNFOKJBO-UHFFFAOYSA-N
XLogP4.84
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole (CID 164611906) is 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(CCCCOc4ccc(CN5CCOCC5)cc4)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is RIDMUSSNFOKJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O3/c28-23-5-8-25-26(19-23)34-29-27(25)22-9-12-30(13-10-22)11-1-2-16-33-24-6-3-21(4-7-24)20-31-14-17-32-18-15-31/h3-8,19,22H,1-2,9-18,20H2.
What are the key properties of 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 467.59 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[4-[4-(morpholin-4-ylmethyl)phenoxy]butyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 164611906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).