[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol

C24H28N2O2 — CID 58951382

IUPAC[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol
SMILESCc1oc(-c2ccc(-c3ccc(CO)cc3)cc2)nc1CCN1CCC[C@H]1C
InChIInChI=1S/C24H28N2O2/c1-17-4-3-14-26(17)15-13-23-18(2)28-24(25-23)22-11-9-21(10-12-22)20-7-5-19(16-27)6-8-20/h5-12,17,27H,3-4,13-16H2,1-2H3/t17-/m1/s1
InChIKeyYRYOEZVQCVRTDS-QGZVFWFLSA-N
MW376.50 g/mol
LogP4.84
Rot. Bonds6

About [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol

[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol (PubChem CID 58951382) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol
PubChem CID58951382
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol
SMILESCc1oc(-c2ccc(-c3ccc(CO)cc3)cc2)nc1CCN1CCC[C@H]1C
InChIInChI=1S/C24H28N2O2/c1-17-4-3-14-26(17)15-13-23-18(2)28-24(25-23)22-11-9-21(10-12-22)20-7-5-19(16-27)6-8-20/h5-12,17,27H,3-4,13-16H2,1-2H3/t17-/m1/s1
InChIKeyYRYOEZVQCVRTDS-QGZVFWFLSA-N
XLogP4.84
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
CID 58951438
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyrimidin-5-ylphenyl)-1,3-oxazole
CID 58951472
[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate
CID 68868786
2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole
CID 91188409
2-(4-butoxyphenyl)-5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-oxazole
CID 58951495
5-methyl-4-[3-(2-methylpyrrolidin-1-yl)propyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 68700806
2-[4-[4-(3-fluoropropylsulfonyl)phenyl]phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole;hydrochloride
CID 68703401
5-methyl-4-[3-(2-methylpyrrolidin-1-yl)propyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole;hydrochloride
CID 68701715
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole
CID 58951384
5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
CID 143186014
5-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 58951492
(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364

Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol?
The IUPAC name of [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol (CID 58951382) is [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol?
The canonical SMILES for [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol is Cc1oc(-c2ccc(-c3ccc(CO)cc3)cc2)nc1CCN1CCC[C@H]1C.
What is the InChIKey of [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol?
The InChIKey is YRYOEZVQCVRTDS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-4-3-14-26(17)15-13-23-18(2)28-24(25-23)22-11-9-21(10-12-22)20-7-5-19(16-27)6-8-20/h5-12,17,27H,3-4,13-16H2,1-2H3/t17-/m1/s1.
What are the key properties of [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol?
[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol has a molecular weight of 376.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 58951382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).