3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one

C10H13NO2 — CID 165131186

IUPAC3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2c1=CCCC=2
InChIInChI=1S/C10H13NO2/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12/h5-7H,3-4H2,1-2H3
InChIKeyJZTXZHWEMYIWEX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.38
Rot. Bonds1

About 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one

3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one (PubChem CID 165131186) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one
PubChem CID165131186
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2c1=CCCC=2
InChIInChI=1S/C10H13NO2/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12/h5-7H,3-4H2,1-2H3
InChIKeyJZTXZHWEMYIWEX-UHFFFAOYSA-N
XLogP0.38
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one (CID 165131186) is 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2c1=CCCC=2.
What is the InChIKey of 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one?
The InChIKey is JZTXZHWEMYIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one?
3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 165131186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).