2-octoxythieno[2,3-d][1,3]oxazin-4-one

C14H19NO3S — CID 141072530

IUPAC2-octoxythieno[2,3-d][1,3]oxazin-4-one
SMILESCCCCCCCCOc1nc2sccc2c(=O)o1
InChIInChI=1S/C14H19NO3S/c1-2-3-4-5-6-7-9-17-14-15-12-11(8-10-19-12)13(16)18-14/h8,10H,2-7,9H2,1H3
InChIKeyHFRLVFZJCREUHH-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.99
Rot. Bonds8

About 2-octoxythieno[2,3-d][1,3]oxazin-4-one

2-octoxythieno[2,3-d][1,3]oxazin-4-one (PubChem CID 141072530) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-octoxythieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-octoxythieno[2,3-d][1,3]oxazin-4-one
PubChem CID141072530
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-octoxythieno[2,3-d][1,3]oxazin-4-one
SMILESCCCCCCCCOc1nc2sccc2c(=O)o1
InChIInChI=1S/C14H19NO3S/c1-2-3-4-5-6-7-9-17-14-15-12-11(8-10-19-12)13(16)18-14/h8,10H,2-7,9H2,1H3
InChIKeyHFRLVFZJCREUHH-UHFFFAOYSA-N
XLogP3.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-octoxythieno[2,3-d][1,3]oxazin-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

Related Compounds

2-octoxy-6-octylthieno[2,3-d][1,3]oxazin-4-one
CID 10172881
2-hexoxy-6-octylthieno[2,3-d][1,3]oxazin-4-one
CID 21030703
6-hexyl-2-octoxythieno[2,3-d][1,3]oxazin-4-one
CID 10215668
2-(hexadecylamino)thieno[2,3-d][1,3]oxazin-4-one
CID 10222144
2-hexadecoxy-3,1-benzoxazin-4-one
CID 21360827
2-hexadecoxy-5-methylthieno[2,3-d][1,3]oxazin-4-one
CID 141072532
5-methyl-2-octoxythieno[2,3-d][1,3]oxazin-4-one
CID 22053905
2-propylthieno[2,3-d][1,3]oxazin-4-one
CID 130651588
2-octadec-9-enoxy-3,1-benzoxazin-4-one
CID 74014450
6-(6-methoxy-6-methylheptan-2-yl)-2-octoxythieno[2,3-d][1,3]oxazin-4-one
CID 10173366
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
6-decyl-2-[2-(3-methylphenyl)ethoxy]thieno[2,3-d][1,3]oxazin-4-one
CID 90780968

Frequently Asked Questions

What is the IUPAC name of 2-octoxythieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-octoxythieno[2,3-d][1,3]oxazin-4-one (CID 141072530) is 2-octoxythieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-octoxythieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-octoxythieno[2,3-d][1,3]oxazin-4-one is CCCCCCCCOc1nc2sccc2c(=O)o1.
What is the InChIKey of 2-octoxythieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is HFRLVFZJCREUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-3-4-5-6-7-9-17-14-15-12-11(8-10-19-12)13(16)18-14/h8,10H,2-7,9H2,1H3.
What are the key properties of 2-octoxythieno[2,3-d][1,3]oxazin-4-one?
2-octoxythieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 281.38 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxythieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 141072530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).