2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol

C24H26F3NO5 — CID 144664794

IUPAC2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol
SMILESCC(C)(O)OCCC1O[C@@H]2OC(c3ccc(C(F)(F)F)cc3)=N[C@@H]2[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H26F3NO5/c1-23(2,29)31-13-12-18-20(30-14-15-6-4-3-5-7-15)19-22(32-18)33-21(28-19)16-8-10-17(11-9-16)24(25,26)27/h3-11,18-20,22,29H,12-14H2,1-2H3/t18?,19-,20-,22-/m1/s1
InChIKeyWBKADWQAYSBRIZ-SRNQMFCMSA-N
MW465.47 g/mol
LogP4.30
Rot. Bonds8

About 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol

2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol (PubChem CID 144664794) has the molecular formula C24H26F3NO5 and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol
PubChem CID144664794
Molecular FormulaC24H26F3NO5
Molecular Weight465.47 g/mol
Exact Mass465.18
IUPAC Name2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol
SMILESCC(C)(O)OCCC1O[C@@H]2OC(c3ccc(C(F)(F)F)cc3)=N[C@@H]2[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H26F3NO5/c1-23(2,29)31-13-12-18-20(30-14-15-6-4-3-5-7-15)19-22(32-18)33-21(28-19)16-8-10-17(11-9-16)24(25,26)27/h3-11,18-20,22,29H,12-14H2,1-2H3/t18?,19-,20-,22-/m1/s1
InChIKeyWBKADWQAYSBRIZ-SRNQMFCMSA-N
XLogP4.30
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole
CID 398124
2-Phenyl-4,5-[5,6-O-isopropylidene-d-glucofuranoso[2,3-d]]-2-oxazolidine
CID 416035
N-[[(3aS,4S,6R,6aS)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-1-phenylmethanimine oxide
CID 134851525
(3aR,4R,6R,6aS)-6-(3-iodopropyl)-4-methoxy-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazole
CID 134885466
2-Phenyl-4,5:d-[3-O-benzyl-5,6-O-isopropylidene-d-glucofuranose]-2-oxazoline
CID 562033
Furo[3,2-d]oxazol-6-ol, 3a,5,6,6a-tetrahydro-2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-
CID 589314
(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazole
CID 144664808
4-(2,2-difluoro-1-methoxyethyl)-2-phenyl-5,6-dihydro-4H-1,3-oxazin-6-ol;ethane;methanol
CID 177065087
(3aR,5S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazole
CID 11254766
(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol
CID 11460925
(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol
CID 13772470
(3aR,5S,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol
CID 39355548

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol?
The IUPAC name of 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol (CID 144664794) is 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol.
What is the SMILES notation for 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol?
The canonical SMILES for 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol is CC(C)(O)OCCC1O[C@@H]2OC(c3ccc(C(F)(F)F)cc3)=N[C@@H]2[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol?
The InChIKey is WBKADWQAYSBRIZ-SRNQMFCMSA-N. The full InChI is InChI=1S/C24H26F3NO5/c1-23(2,29)31-13-12-18-20(30-14-15-6-4-3-5-7-15)19-22(32-18)33-21(28-19)16-8-10-17(11-9-16)24(25,26)27/h3-11,18-20,22,29H,12-14H2,1-2H3/t18?,19-,20-,22-/m1/s1.
What are the key properties of 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol?
2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol has a molecular weight of 465.47 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3aR,6S,6aR)-6-phenylmethoxy-2-[4-(trifluoromethyl)phenyl]-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]ethoxy]propan-2-ol is sourced from PubChem (CID 144664794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).