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

C21H23NO2 — CID 139724947

IUPAC1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol
SMILESOC1(c2ccccc2C2=N[C@H](c3ccccc3)CO2)CCCCC1
InChIInChI=1S/C21H23NO2/c23-21(13-7-2-8-14-21)18-12-6-5-11-17(18)20-22-19(15-24-20)16-9-3-1-4-10-16/h1,3-6,9-12,19,23H,2,7-8,13-15H2/t19-/m0/s1
InChIKeyUTNGJRQKLSFBHZ-IBGZPJMESA-N
MW321.42 g/mol
LogP4.36
Rot. Bonds3

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

1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol (PubChem CID 139724947) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol
PubChem CID139724947
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol
SMILESOC1(c2ccccc2C2=N[C@H](c3ccccc3)CO2)CCCCC1
InChIInChI=1S/C21H23NO2/c23-21(13-7-2-8-14-21)18-12-6-5-11-17(18)20-22-19(15-24-20)16-9-3-1-4-10-16/h1,3-6,9-12,19,23H,2,7-8,13-15H2/t19-/m0/s1
InChIKeyUTNGJRQKLSFBHZ-IBGZPJMESA-N
XLogP4.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol (CID 139724947) is 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol is OC1(c2ccccc2C2=N[C@H](c3ccccc3)CO2)CCCCC1.
What is the InChIKey of 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol?
The InChIKey is UTNGJRQKLSFBHZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23NO2/c23-21(13-7-2-8-14-21)18-12-6-5-11-17(18)20-22-19(15-24-20)16-9-3-1-4-10-16/h1,3-6,9-12,19,23H,2,7-8,13-15H2/t19-/m0/s1.
What are the key properties of 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol?
1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol has a molecular weight of 321.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol is sourced from PubChem (CID 139724947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).