1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone

C15H13F3N2O2 — CID 159512532

IUPAC1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
SMILESC[C@H]1Cc2nocc2CN1C(=O)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H13F3N2O2/c1-8-2-13-10(7-22-19-13)6-20(8)14(21)5-9-3-11(16)15(18)12(17)4-9/h3-4,7-8H,2,5-6H2,1H3/t8-/m0/s1
InChIKeyMVEAHZDNNSQFFF-QMMMGPOBSA-N
MW310.28 g/mol
LogP2.61
Rot. Bonds2

About 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone

1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone (PubChem CID 159512532) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
PubChem CID159512532
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
SMILESC[C@H]1Cc2nocc2CN1C(=O)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H13F3N2O2/c1-8-2-13-10(7-22-19-13)6-20(8)14(21)5-9-3-11(16)15(18)12(17)4-9/h3-4,7-8H,2,5-6H2,1H3/t8-/m0/s1
InChIKeyMVEAHZDNNSQFFF-QMMMGPOBSA-N
XLogP2.61
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone?
The IUPAC name of 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone (CID 159512532) is 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone.
What is the SMILES notation for 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone?
The canonical SMILES for 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone is C[C@H]1Cc2nocc2CN1C(=O)Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone?
The InChIKey is MVEAHZDNNSQFFF-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-8-2-13-10(7-22-19-13)6-20(8)14(21)5-9-3-11(16)15(18)12(17)4-9/h3-4,7-8H,2,5-6H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone?
1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone has a molecular weight of 310.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 159512532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).