3-ethyl-5-propyl-1,3-benzoxazol-2-one

C12H15NO2 — CID 70297213

IUPAC3-ethyl-5-propyl-1,3-benzoxazol-2-one
SMILESCCCc1ccc2oc(=O)n(CC)c2c1
InChIInChI=1S/C12H15NO2/c1-3-5-9-6-7-11-10(8-9)13(4-2)12(14)15-11/h6-8H,3-5H2,1-2H3
InChIKeyFHLBYXCUULAKAL-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.57
Rot. Bonds3

About 3-ethyl-5-propyl-1,3-benzoxazol-2-one

3-ethyl-5-propyl-1,3-benzoxazol-2-one (PubChem CID 70297213) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethyl-5-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-5-propyl-1,3-benzoxazol-2-one
PubChem CID70297213
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-ethyl-5-propyl-1,3-benzoxazol-2-one
SMILESCCCc1ccc2oc(=O)n(CC)c2c1
InChIInChI=1S/C12H15NO2/c1-3-5-9-6-7-11-10(8-9)13(4-2)12(14)15-11/h6-8H,3-5H2,1-2H3
InChIKeyFHLBYXCUULAKAL-UHFFFAOYSA-N
XLogP2.57
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357274
3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one
CID 117297325
5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 28916712
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879
5-ethyl-3-(2-hydroxy-2-methylpropyl)-1,3-benzoxazol-2-one
CID 134527821
ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117416740
5-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787557
5-(3-chloropropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116926676
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
CID 110776303
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
3-ethyl-6-fluoro-5-iodo-1,3-benzoxazol-2-one
CID 145266806
1-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)cyclobutane-1-carboxylic acid
CID 117406858

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-5-propyl-1,3-benzoxazol-2-one (CID 70297213) is 3-ethyl-5-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-5-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-5-propyl-1,3-benzoxazol-2-one is CCCc1ccc2oc(=O)n(CC)c2c1.
What is the InChIKey of 3-ethyl-5-propyl-1,3-benzoxazol-2-one?
The InChIKey is FHLBYXCUULAKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-5-9-6-7-11-10(8-9)13(4-2)12(14)15-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-5-propyl-1,3-benzoxazol-2-one?
3-ethyl-5-propyl-1,3-benzoxazol-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 70297213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).