5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one

C14H19NO2 — CID 118258993

IUPAC5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2c(C)cc(C(C)(C)C)cc21
InChIInChI=1S/C14H19NO2/c1-6-15-11-8-10(14(3,4)5)7-9(2)12(11)17-13(15)16/h7-8H,6H2,1-5H3
InChIKeyHLXNEVBVSWYXLX-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.22
Rot. Bonds1

About 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one

5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one (PubChem CID 118258993) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one
PubChem CID118258993
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2c(C)cc(C(C)(C)C)cc21
InChIInChI=1S/C14H19NO2/c1-6-15-11-8-10(14(3,4)5)7-9(2)12(11)17-13(15)16/h7-8H,6H2,1-5H3
InChIKeyHLXNEVBVSWYXLX-UHFFFAOYSA-N
XLogP3.22
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-3-(2,2-difluoroethyl)-7-fluoro-1,3-benzoxazol-2-one
CID 118258998
6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298459
3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357274
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879
5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,3-benzoxazol-2-one
CID 118259006
3-ethyl-6-[hydroxy-(2-methylphenyl)methyl]-1,3-benzoxazol-2-one
CID 62301115
3-ethyl-6-fluoro-5-iodo-1,3-benzoxazol-2-one
CID 145266806
5-tert-butyl-3-(cyclopropylmethyl)-1,3-benzoxazol-2-one
CID 118259001
6-(1-bromo-2,2-dimethylbutyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62679611
6-(1-amino-2,2-dimethylbutyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62677655
3-ethyl-5-propyl-1,3-benzoxazol-2-one
CID 70297213
1-ethyl-6,7-dimethylpyrido[2,3-d][1,3]oxazine-2,4-dione
CID 54057715

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one (CID 118258993) is 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2c(C)cc(C(C)(C)C)cc21.
What is the InChIKey of 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one?
The InChIKey is HLXNEVBVSWYXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-6-15-11-8-10(14(3,4)5)7-9(2)12(11)17-13(15)16/h7-8H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one?
5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-7-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 118258993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).