(5-cyclopropyl-1,3,4-oxadiazol-2-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 153311207

IUPAC(5-cyclopropyl-1,3,4-oxadiazol-2-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)c2nnc(C3CC3)o2)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C16H17F3N4O4/c1-7-5-23(14(24)13-21-20-12(26-13)8-3-4-8)6-9-10(7)11(22-27-9)15(2,25)16(17,18)19/h7-8,25H,3-6H2,1-2H3/t7-,15+/m0/s1
InChIKeyNRGNIIHTGVGFJI-NZFNHWASSA-N
MW386.33 g/mol
LogP2.46
Rot. Bonds3

About (5-cyclopropyl-1,3,4-oxadiazol-2-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

(5-cyclopropyl-1,3,4-oxadiazol-2-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 153311207) has the molecular formula C16H17F3N4O4 and a molecular weight of 386.33 g/mol. Its IUPAC name is (5-cyclopropyl-1,3,4-oxadiazol-2-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 Name(5-cyclopropyl-1,3,4-oxadiazol-2-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 CID153311207
Molecular FormulaC16H17F3N4O4
Molecular Weight386.33 g/mol
Exact Mass386.12
IUPAC Name(5-cyclopropyl-1,3,4-oxadiazol-2-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)c2nnc(C3CC3)o2)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C16H17F3N4O4/c1-7-5-23(14(24)13-21-20-12(26-13)8-3-4-8)6-9-10(7)11(22-27-9)15(2,25)16(17,18)19/h7-8,25H,3-6H2,1-2H3/t7-,15+/m0/s1
InChIKeyNRGNIIHTGVGFJI-NZFNHWASSA-N
XLogP2.46
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-cyclopropyl-1,3,4-oxadiazol-2-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 (5-cyclopropyl-1,3,4-oxadiazol-2-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 (5-cyclopropyl-1,3,4-oxadiazol-2-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 153311207) is (5-cyclopropyl-1,3,4-oxadiazol-2-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 (5-cyclopropyl-1,3,4-oxadiazol-2-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 (5-cyclopropyl-1,3,4-oxadiazol-2-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)c2nnc(C3CC3)o2)Cc2onc([C@@](C)(O)C(F)(F)F)c21.
What is the InChIKey of (5-cyclopropyl-1,3,4-oxadiazol-2-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 NRGNIIHTGVGFJI-NZFNHWASSA-N. The full InChI is InChI=1S/C16H17F3N4O4/c1-7-5-23(14(24)13-21-20-12(26-13)8-3-4-8)6-9-10(7)11(22-27-9)15(2,25)16(17,18)19/h7-8,25H,3-6H2,1-2H3/t7-,15+/m0/s1.
What are the key properties of (5-cyclopropyl-1,3,4-oxadiazol-2-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?
(5-cyclopropyl-1,3,4-oxadiazol-2-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 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3,4-oxadiazol-2-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 153311207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).