2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone

C16H17F3N4O4 — CID 153311262

IUPAC2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc3n(n2)CCO3)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C16H17F3N4O4/c1-8-6-22(14(24)9-5-11-23(20-9)3-4-26-11)7-10-12(8)13(21-27-10)15(2,25)16(17,18)19/h5,8,25H,3-4,6-7H2,1-2H3/t8-,15+/m0/s1
InChIKeyXJNFXLGERDKDHP-VXJOIVPMSA-N
MW386.33 g/mol
LogP1.79
Rot. Bonds2

About 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone

2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 153311262) has the molecular formula C16H17F3N4O4 and a molecular weight of 386.33 g/mol. Its IUPAC name is 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID153311262
Molecular FormulaC16H17F3N4O4
Molecular Weight386.33 g/mol
Exact Mass386.12
IUPAC Name2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc3n(n2)CCO3)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C16H17F3N4O4/c1-8-6-22(14(24)9-5-11-23(20-9)3-4-26-11)7-10-12(8)13(21-27-10)15(2,25)16(17,18)19/h5,8,25H,3-4,6-7H2,1-2H3/t8-,15+/m0/s1
InChIKeyXJNFXLGERDKDHP-VXJOIVPMSA-N
XLogP1.79
TPSA93.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone (CID 153311262) is 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone is C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)Cc2onc([C@@](C)(O)C(F)(F)F)c21.
What is the InChIKey of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is XJNFXLGERDKDHP-VXJOIVPMSA-N. The full InChI is InChI=1S/C16H17F3N4O4/c1-8-6-22(14(24)9-5-11-23(20-9)3-4-26-11)7-10-12(8)13(21-27-10)15(2,25)16(17,18)19/h5,8,25H,3-4,6-7H2,1-2H3/t8-,15+/m0/s1.
What are the key properties of 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 386.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 153311262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).