3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one

C16H23NO2 — CID 177221157

IUPAC3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)c1ccc2c(c1)oc(=O)n2C(C)(C)C(C)C
InChIInChI=1S/C16H23NO2/c1-10(2)12-7-8-13-14(9-12)19-15(18)17(13)16(5,6)11(3)4/h7-11H,1-6H3
InChIKeyUWYXQIKLIOCDMC-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.11
Rot. Bonds3

About 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one

3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 177221157) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID177221157
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)c1ccc2c(c1)oc(=O)n2C(C)(C)C(C)C
InChIInChI=1S/C16H23NO2/c1-10(2)12-7-8-13-14(9-12)19-15(18)17(13)16(5,6)11(3)4/h7-11H,1-6H3
InChIKeyUWYXQIKLIOCDMC-UHFFFAOYSA-N
XLogP4.11
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one (CID 177221157) is 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one is CC(C)c1ccc2c(c1)oc(=O)n2C(C)(C)C(C)C.
What is the InChIKey of 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is UWYXQIKLIOCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(2)12-7-8-13-14(9-12)19-15(18)17(13)16(5,6)11(3)4/h7-11H,1-6H3.
What are the key properties of 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one?
3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 261.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutan-2-yl)-6-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 177221157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).