N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C16H15F2N3O2 — CID 128591113

IUPACN-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cc2n(n1)CCO2
InChIInChI=1S/C16H15F2N3O2/c17-9-6-11-10(12(18)7-9)2-1-3-13(11)19-16(22)14-8-15-21(20-14)4-5-23-15/h6-8,13H,1-5H2,(H,19,22)/t13-/m1/s1
InChIKeyUDYHSXCNPDCLFL-CYBMUJFWSA-N
MW319.31 g/mol
LogP2.36
Rot. Bonds2

About N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 128591113) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID128591113
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cc2n(n1)CCO2
InChIInChI=1S/C16H15F2N3O2/c17-9-6-11-10(12(18)7-9)2-1-3-13(11)19-16(22)14-8-15-21(20-14)4-5-23-15/h6-8,13H,1-5H2,(H,19,22)/t13-/m1/s1
InChIKeyUDYHSXCNPDCLFL-CYBMUJFWSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 128591113) is N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cc2n(n1)CCO2.
What is the InChIKey of N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is UDYHSXCNPDCLFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-9-6-11-10(12(18)7-9)2-1-3-13(11)19-16(22)14-8-15-21(20-14)4-5-23-15/h6-8,13H,1-5H2,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 128591113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).