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

C12H19NO2 — CID 165131185

IUPACethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one
SMILESCC.CC(C)n1c(=O)oc2c1=CCCC=2
InChIInChI=1S/C10H13NO2.C2H6/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyHBOMCEYQDYARKH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.40
Rot. Bonds1

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

ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one (PubChem CID 165131185) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Nameethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one
PubChem CID165131185
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one
SMILESCC.CC(C)n1c(=O)oc2c1=CCCC=2
InChIInChI=1S/C10H13NO2.C2H6/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyHBOMCEYQDYARKH-UHFFFAOYSA-N
XLogP1.40
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one (CID 165131185) is ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one is CC.CC(C)n1c(=O)oc2c1=CCCC=2.
What is the InChIKey of ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one?
The InChIKey is HBOMCEYQDYARKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one?
ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yl-5,6-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 165131185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).