6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione

C14H15NO3 — CID 2806150

IUPAC6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione
SMILESCC(C)(C)c1ccc(-c2cc(=O)[nH]c(=O)o2)cc1
InChIInChI=1S/C14H15NO3/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(16)15-13(17)18-11/h4-8H,1-3H3,(H,15,16,17)
InChIKeySIJDJNHBQRFNAP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.29
Rot. Bonds1

About 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione

6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione (PubChem CID 2806150) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione
PubChem CID2806150
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione
SMILESCC(C)(C)c1ccc(-c2cc(=O)[nH]c(=O)o2)cc1
InChIInChI=1S/C14H15NO3/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(16)15-13(17)18-11/h4-8H,1-3H3,(H,15,16,17)
InChIKeySIJDJNHBQRFNAP-UHFFFAOYSA-N
XLogP2.29
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-6-[(4-propylphenyl)methoxy]-1H-pyridin-2-one
CID 177656258
6-m-Fluorophenyl-1,3-oxazine-2,4-dione
CID 13370936
6-Phenyl-1,3-oxazine-2,4-dione
CID 2804620
2H-1,3-Oxazine-2,4(3H)-dione, 6-(4-fluorophenyl)-
CID 12300353
6-[3-(trifluoromethyl)phenyl]-2H-1,3-oxazine-2,4(3H)-dione
CID 49762859
5-Methyl-6-phenyl-[1,3]oxazine-2,4-dione
CID 12410429
5-Ethyl-6-phenyl-1,3-oxazine-2,4-dione
CID 85819928
6-(4-Methylphenyl)-1,3-oxazine-2,4-dione
CID 11148380
6-[4-(Sulfanylmethyl)phenyl]-1,3-oxazine-2,4-dione
CID 89262947
5-methoxy-6-phenylmethoxy-1H-pyridin-2-one
CID 156177260
(4-methylphenyl)methyl N-acetylcarbamate
CID 164125712
4,4-dimethyl-6-phenyl-3H-1,3-oxazin-2-one
CID 164129420

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione?
The IUPAC name of 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione (CID 2806150) is 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione.
What is the SMILES notation for 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione?
The canonical SMILES for 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione is CC(C)(C)c1ccc(-c2cc(=O)[nH]c(=O)o2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione?
The InChIKey is SIJDJNHBQRFNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(16)15-13(17)18-11/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione?
6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-1,3-oxazine-2,4-dione is sourced from PubChem (CID 2806150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).