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

C21H24N2O2 — CID 135112395

IUPAC4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CC2CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C21H24N2O2/c24-21(18-9-5-2-6-10-18)11-13-23(14-12-21)16-19-15-20(22-25-19)17-7-3-1-4-8-17/h1-10,19,24H,11-16H2
InChIKeyISFSIPBZKQVUOB-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.16
Rot. Bonds4

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

4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol (PubChem CID 135112395) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol
PubChem CID135112395
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CC2CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C21H24N2O2/c24-21(18-9-5-2-6-10-18)11-13-23(14-12-21)16-19-15-20(22-25-19)17-7-3-1-4-8-17/h1-10,19,24H,11-16H2
InChIKeyISFSIPBZKQVUOB-UHFFFAOYSA-N
XLogP3.16
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 4234325
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 124758386
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 124758387
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 124751975
1-phenyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 134945804
1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
CID 91840019
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
2,2-difluoro-3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 162417848
(1S)-1-phenyl-2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 11471142
(2S)-1-[methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]butan-2-ol
CID 93177696

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol (CID 135112395) is 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol is OC1(c2ccccc2)CCN(CC2CC(c3ccccc3)=NO2)CC1.
What is the InChIKey of 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is ISFSIPBZKQVUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(18-9-5-2-6-10-18)11-13-23(14-12-21)16-19-15-20(22-25-19)17-7-3-1-4-8-17/h1-10,19,24H,11-16H2.
What are the key properties of 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 336.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 135112395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).