5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole

C21H23ClN2O2 — CID 67845365

IUPAC5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
SMILESClc1ccc2onc(OCC3CCN(CCc4ccccc4)CC3)c2c1
InChIInChI=1S/C21H23ClN2O2/c22-18-6-7-20-19(14-18)21(23-26-20)25-15-17-9-12-24(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2
InChIKeyBQPDLCDXLBCYDL-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.81
Rot. Bonds6

About 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole

5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole (PubChem CID 67845365) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole.

Molecular Properties

Compound Name5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
PubChem CID67845365
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
SMILESClc1ccc2onc(OCC3CCN(CCc4ccccc4)CC3)c2c1
InChIInChI=1S/C21H23ClN2O2/c22-18-6-7-20-19(14-18)21(23-26-20)25-15-17-9-12-24(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2
InChIKeyBQPDLCDXLBCYDL-UHFFFAOYSA-N
XLogP4.81
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

but-2-enedioic acid;5-chloro-3-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
CID 67845359
6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one
CID 67845427
3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-fluoro-1,2-benzoxazole
CID 22068435
N-benzyl-1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-methoxypropan-2-amine
CID 23368527
1,4-bis(2-phenylethyl)piperidine
CID 86059939
6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole
CID 102339944
4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline
CID 15923232
3-[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propyl]-6-phenylmethoxy-1,2-benzoxazole
CID 22068220
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
CID 39097774
but-2-enedioic acid;6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one
CID 67845426

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole?
The IUPAC name of 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole (CID 67845365) is 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole.
What is the SMILES notation for 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole?
The canonical SMILES for 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole is Clc1ccc2onc(OCC3CCN(CCc4ccccc4)CC3)c2c1.
What is the InChIKey of 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole?
The InChIKey is BQPDLCDXLBCYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-6-7-20-19(14-18)21(23-26-20)25-15-17-9-12-24(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2.
What are the key properties of 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole?
5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole has a molecular weight of 370.88 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole is sourced from PubChem (CID 67845365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).