3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone

C18H16F3N3O3 — CID 118862296

IUPAC3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(N1CCc2c(-c3cnco3)cc(C(F)(F)F)cc21)N1C2COCC1C2
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)10-3-14(16-6-22-9-27-16)13-1-2-23(15(13)4-10)17(25)24-11-5-12(24)8-26-7-11/h3-4,6,9,11-12H,1-2,5,7-8H2
InChIKeyIHAWOJYQWNRVAZ-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.32
Rot. Bonds1

About 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone

3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 118862296) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
PubChem CID118862296
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
SMILESO=C(N1CCc2c(-c3cnco3)cc(C(F)(F)F)cc21)N1C2COCC1C2
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)10-3-14(16-6-22-9-27-16)13-1-2-23(15(13)4-10)17(25)24-11-5-12(24)8-26-7-11/h3-4,6,9,11-12H,1-2,5,7-8H2
InChIKeyIHAWOJYQWNRVAZ-UHFFFAOYSA-N
XLogP3.32
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone (CID 118862296) is 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone is O=C(N1CCc2c(-c3cnco3)cc(C(F)(F)F)cc21)N1C2COCC1C2.
What is the InChIKey of 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is IHAWOJYQWNRVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-18(20,21)10-3-14(16-6-22-9-27-16)13-1-2-23(15(13)4-10)17(25)24-11-5-12(24)8-26-7-11/h3-4,6,9,11-12H,1-2,5,7-8H2.
What are the key properties of 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone?
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 379.34 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-6-azabicyclo[3.1.1]heptan-6-yl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 118862296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).