2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one

C14H21NO3S — CID 139595494

IUPAC2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one
SMILESCCc1nc2c(o1)CC(CC(C)S(=O)CC)CC2=O
InChIInChI=1S/C14H21NO3S/c1-4-13-15-14-11(16)7-10(8-12(14)18-13)6-9(3)19(17)5-2/h9-10H,4-8H2,1-3H3
InChIKeyIVZPFBARUICXDR-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.53
Rot. Bonds5

About 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one

2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one (PubChem CID 139595494) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one.

Molecular Properties

Compound Name2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one
PubChem CID139595494
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one
SMILESCCc1nc2c(o1)CC(CC(C)S(=O)CC)CC2=O
InChIInChI=1S/C14H21NO3S/c1-4-13-15-14-11(16)7-10(8-12(14)18-13)6-9(3)19(17)5-2/h9-10H,4-8H2,1-3H3
InChIKeyIVZPFBARUICXDR-UHFFFAOYSA-N
XLogP2.53
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The IUPAC name of 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one (CID 139595494) is 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one.
What is the SMILES notation for 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The canonical SMILES for 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one is CCc1nc2c(o1)CC(CC(C)S(=O)CC)CC2=O.
What is the InChIKey of 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one?
The InChIKey is IVZPFBARUICXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-13-15-14-11(16)7-10(8-12(14)18-13)6-9(3)19(17)5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one?
2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one has a molecular weight of 283.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one is sourced from PubChem (CID 139595494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).