4-tert-butylfuro[3,2-e][1,3]oxazin-2-one

C10H11NO3 — CID 20750324

IUPAC4-tert-butylfuro[3,2-e][1,3]oxazin-2-one
SMILESCC(C)(C)c1nc(=O)oc2occc12
InChIInChI=1S/C10H11NO3/c1-10(2,3)7-6-4-5-13-8(6)14-9(12)11-7/h4-5H,1-3H3
InChIKeyUJHHDBLFAHOLOQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.08
Rot. Bonds

About 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one

4-tert-butylfuro[3,2-e][1,3]oxazin-2-one (PubChem CID 20750324) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-tert-butylfuro[3,2-e][1,3]oxazin-2-one
PubChem CID20750324
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-tert-butylfuro[3,2-e][1,3]oxazin-2-one
SMILESCC(C)(C)c1nc(=O)oc2occc12
InChIInChI=1S/C10H11NO3/c1-10(2,3)7-6-4-5-13-8(6)14-9(12)11-7/h4-5H,1-3H3
InChIKeyUJHHDBLFAHOLOQ-UHFFFAOYSA-N
XLogP2.08
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one?
The IUPAC name of 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one (CID 20750324) is 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one.
What is the SMILES notation for 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one?
The canonical SMILES for 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one is CC(C)(C)c1nc(=O)oc2occc12.
What is the InChIKey of 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one?
The InChIKey is UJHHDBLFAHOLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-10(2,3)7-6-4-5-13-8(6)14-9(12)11-7/h4-5H,1-3H3.
What are the key properties of 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one?
4-tert-butylfuro[3,2-e][1,3]oxazin-2-one has a molecular weight of 193.20 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylfuro[3,2-e][1,3]oxazin-2-one is sourced from PubChem (CID 20750324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).