4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol

C24H28N2O2 — CID 23724014

IUPAC4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol
SMILESOC1(Cc2cc(-c3ccccc3)no2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C24H28N2O2/c27-24(19-22-18-23(25-28-22)21-11-5-2-6-12-21)13-16-26(17-14-24)15-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,18,27H,7,10,13-17,19H2
InChIKeyVFEQYRQJEWQWCW-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.34
Rot. Bonds7

About 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol

4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol (PubChem CID 23724014) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol
PubChem CID23724014
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol
SMILESOC1(Cc2cc(-c3ccccc3)no2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C24H28N2O2/c27-24(19-22-18-23(25-28-22)21-11-5-2-6-12-21)13-16-26(17-14-24)15-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,18,27H,7,10,13-17,19H2
InChIKeyVFEQYRQJEWQWCW-UHFFFAOYSA-N
XLogP4.34
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 91832505
1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 72883616
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 26325119
1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42596543
4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-ol
CID 72851273
1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42454719
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2R)-2-methylbutyl]piperidin-4-ol
CID 42383406
4-(hydroxymethyl)-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 56752239
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 91828345
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 26328797
4-(phenoxymethyl)-1-(3-phenylpropyl)azepan-4-ol
CID 155990791
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol?
The IUPAC name of 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol (CID 23724014) is 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol.
What is the SMILES notation for 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol?
The canonical SMILES for 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol is OC1(Cc2cc(-c3ccccc3)no2)CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol?
The InChIKey is VFEQYRQJEWQWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-24(19-22-18-23(25-28-22)21-11-5-2-6-12-21)13-16-26(17-14-24)15-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,18,27H,7,10,13-17,19H2.
What are the key properties of 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol?
4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol has a molecular weight of 376.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol is sourced from PubChem (CID 23724014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).