3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide

C20H25FN2O4 — CID 86800820

IUPAC3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
SMILESCC(C)(C)c1cnc(CCC(=O)NCCc2cc(F)cc3c2OCOC3)o1
InChIInChI=1S/C20H25FN2O4/c1-20(2,3)16-10-23-18(27-16)5-4-17(24)22-7-6-13-8-15(21)9-14-11-25-12-26-19(13)14/h8-10H,4-7,11-12H2,1-3H3,(H,22,24)
InChIKeyTZHITOXYCFDZOE-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.27
Rot. Bonds6

About 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide

3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide (PubChem CID 86800820) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
PubChem CID86800820
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
SMILESCC(C)(C)c1cnc(CCC(=O)NCCc2cc(F)cc3c2OCOC3)o1
InChIInChI=1S/C20H25FN2O4/c1-20(2,3)16-10-23-18(27-16)5-4-17(24)22-7-6-13-8-15(21)9-14-11-25-12-26-19(13)14/h8-10H,4-7,11-12H2,1-3H3,(H,22,24)
InChIKeyTZHITOXYCFDZOE-UHFFFAOYSA-N
XLogP3.27
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide?
The IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide (CID 86800820) is 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide.
What is the SMILES notation for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide?
The canonical SMILES for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide is CC(C)(C)c1cnc(CCC(=O)NCCc2cc(F)cc3c2OCOC3)o1.
What is the InChIKey of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide?
The InChIKey is TZHITOXYCFDZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-20(2,3)16-10-23-18(27-16)5-4-17(24)22-7-6-13-8-15(21)9-14-11-25-12-26-19(13)14/h8-10H,4-7,11-12H2,1-3H3,(H,22,24).
What are the key properties of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide?
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide has a molecular weight of 376.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide is sourced from PubChem (CID 86800820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).