5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole

C23H26N2O3 — CID 44537957

IUPAC5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN2CCCCC2)c1
InChIInChI=1S/C23H26N2O3/c1-26-19-10-11-20(22(16-19)27-15-14-25-12-6-3-7-13-25)23-17-21(24-28-23)18-8-4-2-5-9-18/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3
InChIKeyMFPWLXKLEDRKJX-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.88
Rot. Bonds7

About 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole

5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole (PubChem CID 44537957) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole
PubChem CID44537957
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN2CCCCC2)c1
InChIInChI=1S/C23H26N2O3/c1-26-19-10-11-20(22(16-19)27-15-14-25-12-6-3-7-13-25)23-17-21(24-28-23)18-8-4-2-5-9-18/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3
InChIKeyMFPWLXKLEDRKJX-UHFFFAOYSA-N
XLogP4.88
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Abaperidone
CID 3037308
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-4-oxo-4H-chromene-3-carboxylic acid
CID 9892291
7-[(E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enoxy]-4-methylchromen-2-one
CID 57334255
7-[4-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butoxy]-3,4-dimethylchromen-2-one
CID 71681209
5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)chroman-4-one (7g)
CID 126961577
N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24768322
3-[(1-Butylpiperidin-4-yl)methoxy]-4-(2-methylpropoxy)-1,2-benzoxazole
CID 71462651
6-Methoxy-3-phenylbenzo[d]isoxazole
CID 3286009
Ethanone, 1-(5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)phenyl)-
CID 5271232
6-Methoxy-3-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-1,2-benzisoxazole
CID 9798502
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxymethyl-chromen-4-one
CID 9804562
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-chromen-4-one
CID 9823559

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole (CID 44537957) is 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole is COc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN2CCCCC2)c1.
What is the InChIKey of 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole?
The InChIKey is MFPWLXKLEDRKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-26-19-10-11-20(22(16-19)27-15-14-25-12-6-3-7-13-25)23-17-21(24-28-23)18-8-4-2-5-9-18/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3.
What are the key properties of 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole?
5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole has a molecular weight of 378.47 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 44537957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).