ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one

C12H19NO2 — CID 143342234

IUPACethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
SMILESCC.CCC1=Cc2c(oc(=O)n2C)CC1
InChIInChI=1S/C10H13NO2.C2H6/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyUYLMGQHFVRXUHM-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.74
Rot. Bonds1

About ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one

ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one (PubChem CID 143342234) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Nameethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
PubChem CID143342234
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
SMILESCC.CCC1=Cc2c(oc(=O)n2C)CC1
InChIInChI=1S/C10H13NO2.C2H6/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyUYLMGQHFVRXUHM-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7,7-trimethyl-3-propan-2-yl-6H-1,3-benzoxazol-2-one
CID 142162796
5-Ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
CID 143342235
6-Ethenyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one
CID 146550515

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one (CID 143342234) is ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one is CC.CCC1=Cc2c(oc(=O)n2C)CC1.
What is the InChIKey of ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
The InChIKey is UYLMGQHFVRXUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-3-7-4-5-9-8(6-7)11(2)10(12)13-9;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one?
ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-methyl-6,7-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 143342234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).