N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide

C15H20N2O3S2 — CID 5308527

IUPACN-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
SMILESCCCCNC(=O)CS(=O)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C15H20N2O3S2/c1-3-4-7-16-14(18)10-22(19)9-12-11(2)20-15(17-12)13-6-5-8-21-13/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,16,18)
InChIKeyOKBTVZPYJGQSFA-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.88
Rot. Bonds8

About N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide

N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide (PubChem CID 5308527) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
PubChem CID5308527
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC NameN-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
SMILESCCCCNC(=O)CS(=O)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C15H20N2O3S2/c1-3-4-7-16-14(18)10-22(19)9-12-11(2)20-15(17-12)13-6-5-8-21-13/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,16,18)
InChIKeyOKBTVZPYJGQSFA-UHFFFAOYSA-N
XLogP2.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide 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 N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The IUPAC name of N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide (CID 5308527) is N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide is CCCCNC(=O)CS(=O)Cc1nc(-c2cccs2)oc1C.
What is the InChIKey of N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
The InChIKey is OKBTVZPYJGQSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-3-4-7-16-14(18)10-22(19)9-12-11(2)20-15(17-12)13-6-5-8-21-13/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide?
N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 5308527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).