4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one

C17H17NO2 — CID 166071163

IUPAC4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one
SMILESCC(C)(C)C1=NC(=O)OC1c1cccc2ccccc12
InChIInChI=1S/C17H17NO2/c1-17(2,3)15-14(20-16(19)18-15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3
InChIKeyFWLMYOLZDBGERN-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.52
Rot. Bonds1

About 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one

4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one (PubChem CID 166071163) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one
PubChem CID166071163
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one
SMILESCC(C)(C)C1=NC(=O)OC1c1cccc2ccccc12
InChIInChI=1S/C17H17NO2/c1-17(2,3)15-14(20-16(19)18-15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3
InChIKeyFWLMYOLZDBGERN-UHFFFAOYSA-N
XLogP4.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one?
The IUPAC name of 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one (CID 166071163) is 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one.
What is the SMILES notation for 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one?
The canonical SMILES for 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one is CC(C)(C)C1=NC(=O)OC1c1cccc2ccccc12.
What is the InChIKey of 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one?
The InChIKey is FWLMYOLZDBGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(2,3)15-14(20-16(19)18-15)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3.
What are the key properties of 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one?
4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one has a molecular weight of 267.33 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one is sourced from PubChem (CID 166071163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).