6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole

C28H29FN2O3 — CID 173323648

IUPAC6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole
SMILESCOc1ccccc1OCC(CN1CCC(c2onc3cc(F)ccc23)CC1)c1ccccc1
InChIInChI=1S/C28H29FN2O3/c1-32-26-9-5-6-10-27(26)33-19-22(20-7-3-2-4-8-20)18-31-15-13-21(14-16-31)28-24-12-11-23(29)17-25(24)30-34-28/h2-12,17,21-22H,13-16,18-19H2,1H3
InChIKeyLFABBSDYHAZGJN-UHFFFAOYSA-N
MW460.55 g/mol
LogP6.02
Rot. Bonds8

About 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole

6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole (PubChem CID 173323648) has the molecular formula C28H29FN2O3 and a molecular weight of 460.55 g/mol. Its IUPAC name is 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole
PubChem CID173323648
Molecular FormulaC28H29FN2O3
Molecular Weight460.55 g/mol
Exact Mass460.22
IUPAC Name6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole
SMILESCOc1ccccc1OCC(CN1CCC(c2onc3cc(F)ccc23)CC1)c1ccccc1
InChIInChI=1S/C28H29FN2O3/c1-32-26-9-5-6-10-27(26)33-19-22(20-7-3-2-4-8-20)18-31-15-13-21(14-16-31)28-24-12-11-23(29)17-25(24)30-34-28/h2-12,17,21-22H,13-16,18-19H2,1H3
InChIKeyLFABBSDYHAZGJN-UHFFFAOYSA-N
XLogP6.02
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole with MolForge

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Related Compounds

3-[1-[3-(4-ethyl-3-methoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-2,1-benzoxazole
CID 19040937
3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
CID 67691459
2-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 67691316
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol
CID 70244470
5-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 140972227
6-fluoro-3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]-1,2-benzoxazole
CID 58057988
N-[5-acetyl-2-[3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
CID 67691156
5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 67867741
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 140972247
[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-phenylpropyl] 7,8-dihydro-[1,3]dioxolo[4,5-e]indole-6-carboxylate
CID 10530555
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol
CID 139810883

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole (CID 173323648) is 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole is COc1ccccc1OCC(CN1CCC(c2onc3cc(F)ccc23)CC1)c1ccccc1.
What is the InChIKey of 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole?
The InChIKey is LFABBSDYHAZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O3/c1-32-26-9-5-6-10-27(26)33-19-22(20-7-3-2-4-8-20)18-31-15-13-21(14-16-31)28-24-12-11-23(29)17-25(24)30-34-28/h2-12,17,21-22H,13-16,18-19H2,1H3.
What are the key properties of 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole?
6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole has a molecular weight of 460.55 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[3-(2-methoxyphenoxy)-2-phenylpropyl]piperidin-4-yl]-2,1-benzoxazole is sourced from PubChem (CID 173323648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).