(2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol

C20H20F3N3O3 — CID 167497535

IUPAC(2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol
SMILESCOc1ccc(Cn2ncc3c2C[C@H](C)c2c([C@@](C)(O)C(F)(F)F)noc2-3)cc1
InChIInChI=1S/C20H20F3N3O3/c1-11-8-15-14(9-24-26(15)10-12-4-6-13(28-3)7-5-12)17-16(11)18(25-29-17)19(2,27)20(21,22)23/h4-7,9,11,27H,8,10H2,1-3H3/t11-,19+/m0/s1
InChIKeyPUDRNARZGMBFLP-JEOXALJRSA-N
MW407.39 g/mol
LogP4.02
Rot. Bonds4

About (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol

(2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol (PubChem CID 167497535) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol
PubChem CID167497535
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name(2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol
SMILESCOc1ccc(Cn2ncc3c2C[C@H](C)c2c([C@@](C)(O)C(F)(F)F)noc2-3)cc1
InChIInChI=1S/C20H20F3N3O3/c1-11-8-15-14(9-24-26(15)10-12-4-6-13(28-3)7-5-12)17-16(11)18(25-29-17)19(2,27)20(21,22)23/h4-7,9,11,27H,8,10H2,1-3H3/t11-,19+/m0/s1
InChIKeyPUDRNARZGMBFLP-JEOXALJRSA-N
XLogP4.02
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]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

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol (CID 167497535) is (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol is COc1ccc(Cn2ncc3c2C[C@H](C)c2c([C@@](C)(O)C(F)(F)F)noc2-3)cc1.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol?
The InChIKey is PUDRNARZGMBFLP-JEOXALJRSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-11-8-15-14(9-24-26(15)10-12-4-6-13(28-3)7-5-12)17-16(11)18(25-29-17)19(2,27)20(21,22)23/h4-7,9,11,27H,8,10H2,1-3H3/t11-,19+/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol has a molecular weight of 407.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-[(4S)-6-[(4-methoxyphenyl)methyl]-4-methyl-4,5-dihydropyrazolo[5,4-g][1,2]benzoxazol-3-yl]propan-2-ol is sourced from PubChem (CID 167497535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).