(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol

C20H24N2O2 — CID 10568003

IUPAC(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol
SMILESCC(C)(C)[C@](C)(O)c1cccc(C2=N[C@H](c3ccccc3)CO2)n1
InChIInChI=1S/C20H24N2O2/c1-19(2,3)20(4,23)17-12-8-11-15(21-17)18-22-16(13-24-18)14-9-6-5-7-10-14/h5-12,16,23H,13H2,1-4H3/t16-,20+/m0/s1
InChIKeyWEXLPFQKSOHXAS-OXJNMPFZSA-N
MW324.42 g/mol
LogP3.85
Rot. Bonds3

About (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol

(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol (PubChem CID 10568003) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol
PubChem CID10568003
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol
SMILESCC(C)(C)[C@](C)(O)c1cccc(C2=N[C@H](c3ccccc3)CO2)n1
InChIInChI=1S/C20H24N2O2/c1-19(2,3)20(4,23)17-12-8-11-15(21-17)18-22-16(13-24-18)14-9-6-5-7-10-14/h5-12,16,23H,13H2,1-4H3/t16-,20+/m0/s1
InChIKeyWEXLPFQKSOHXAS-OXJNMPFZSA-N
XLogP3.85
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 101183979
2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]phenol
CID 137086219
copper;(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate);dihydrate
CID 11274257
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
(4R)-2-[4-chloro-6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101488940
(4S)-5,5-dideuterio-2-[6-[(4S)-5,5-dideuterio-4-phenyl-4H-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4H-1,3-oxazole
CID 101355290
(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine
CID 102182088
[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate
CID 100997915
2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 154729036
chlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 24769983
CID 10553823
CID 10553823
(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551056

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol?
The IUPAC name of (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol (CID 10568003) is (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol.
What is the SMILES notation for (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol?
The canonical SMILES for (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol is CC(C)(C)[C@](C)(O)c1cccc(C2=N[C@H](c3ccccc3)CO2)n1.
What is the InChIKey of (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol?
The InChIKey is WEXLPFQKSOHXAS-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-19(2,3)20(4,23)17-12-8-11-15(21-17)18-22-16(13-24-18)14-9-6-5-7-10-14/h5-12,16,23H,13H2,1-4H3/t16-,20+/m0/s1.
What are the key properties of (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol?
(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol has a molecular weight of 324.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol is sourced from PubChem (CID 10568003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).