(3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol

C19H20FNO2 — CID 166775760

IUPAC(3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol
SMILESCC1(O)CC[C@]2(c3ccc(F)cc3)OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C19H20FNO2/c1-18(22)11-12-19(15-7-9-16(20)10-8-15)21(18)17(13-23-19)14-5-3-2-4-6-14/h2-10,17,22H,11-13H2,1H3/t17-,18?,19+/m0/s1
InChIKeyGJUWRFGMVSGVFK-LJJQOFDWSA-N
MW313.37 g/mol
LogP3.55
Rot. Bonds2

About (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol

(3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol (PubChem CID 166775760) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol.

Molecular Properties

Compound Name(3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol
PubChem CID166775760
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol
SMILESCC1(O)CC[C@]2(c3ccc(F)cc3)OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C19H20FNO2/c1-18(22)11-12-19(15-7-9-16(20)10-8-15)21(18)17(13-23-19)14-5-3-2-4-6-14/h2-10,17,22H,11-13H2,1H3/t17-,18?,19+/m0/s1
InChIKeyGJUWRFGMVSGVFK-LJJQOFDWSA-N
XLogP3.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The IUPAC name of (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol (CID 166775760) is (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol.
What is the SMILES notation for (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The canonical SMILES for (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol is CC1(O)CC[C@]2(c3ccc(F)cc3)OC[C@@H](c3ccccc3)N12.
What is the InChIKey of (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The InChIKey is GJUWRFGMVSGVFK-LJJQOFDWSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-18(22)11-12-19(15-7-9-16(20)10-8-15)21(18)17(13-23-19)14-5-3-2-4-6-14/h2-10,17,22H,11-13H2,1H3/t17-,18?,19+/m0/s1.
What are the key properties of (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol?
(3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol has a molecular weight of 313.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aR)-7a-(4-fluorophenyl)-5-methyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-ol is sourced from PubChem (CID 166775760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).