2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol

C24H23F2N5O2 — CID 166825780

IUPAC2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
SMILESCc1nc(NCCc2ccc(O)c(-c3cccc(F)c3F)c2)c2nc3n(c2n1)C(C)(C)CO3
InChIInChI=1S/C24H23F2N5O2/c1-13-28-21(20-22(29-13)31-23(30-20)33-12-24(31,2)3)27-10-9-14-7-8-18(32)16(11-14)15-5-4-6-17(25)19(15)26/h4-8,11,32H,9-10,12H2,1-3H3,(H,27,28,29)
InChIKeyZEAXGDOVRGVMQO-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.57
Rot. Bonds5

About 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol

2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol (PubChem CID 166825780) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
PubChem CID166825780
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
SMILESCc1nc(NCCc2ccc(O)c(-c3cccc(F)c3F)c2)c2nc3n(c2n1)C(C)(C)CO3
InChIInChI=1S/C24H23F2N5O2/c1-13-28-21(20-22(29-13)31-23(30-20)33-12-24(31,2)3)27-10-9-14-7-8-18(32)16(11-14)15-5-4-6-17(25)19(15)26/h4-8,11,32H,9-10,12H2,1-3H3,(H,27,28,29)
InChIKeyZEAXGDOVRGVMQO-UHFFFAOYSA-N
XLogP4.57
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methylsulfonylphenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
CID 166825676
4-[2-hydroxy-5-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenyl]benzonitrile
CID 166825786
4-fluoro-3-[2-hydroxy-5-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenyl]benzonitrile
CID 166825587
2-(3-ethylphenyl)-4-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
CID 162474533
2-(3-fluorophenyl)-4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]phenol
CID 162474531
4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol
CID 150615299
4-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]-2-(4-isocyanophenyl)phenol
CID 162474487
2-[3-[2-hydroxy-5-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenyl]phenyl]-N,N-dimethylacetamide
CID 162474559
3-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]phenol
CID 162474608
N-[2-(4-fluorophenyl)ethyl]-2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-amine
CID 162474625
N-[2-(4-fluorophenyl)ethyl]-2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-amine
CID 162474670
4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol
CID 166825779

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol?
The IUPAC name of 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol (CID 166825780) is 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol is Cc1nc(NCCc2ccc(O)c(-c3cccc(F)c3F)c2)c2nc3n(c2n1)C(C)(C)CO3.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol?
The InChIKey is ZEAXGDOVRGVMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-13-28-21(20-22(29-13)31-23(30-20)33-12-24(31,2)3)27-10-9-14-7-8-18(32)16(11-14)15-5-4-6-17(25)19(15)26/h4-8,11,32H,9-10,12H2,1-3H3,(H,27,28,29).
What are the key properties of 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol?
2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol has a molecular weight of 451.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 166825780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).