3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide

C12H16N4O2S — CID 43031305

IUPAC3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2cc(C)no2)s1
InChIInChI=1S/C12H16N4O2S/c1-3-4-5-6-10-14-15-12(19-10)13-11(17)9-7-8(2)16-18-9/h7H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyFVNVNPXTYOJNFP-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.82
Rot. Bonds6

About 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide

3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 43031305) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID43031305
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2cc(C)no2)s1
InChIInChI=1S/C12H16N4O2S/c1-3-4-5-6-10-14-15-12(19-10)13-11(17)9-7-8(2)16-18-9/h7H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyFVNVNPXTYOJNFP-UHFFFAOYSA-N
XLogP2.82
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide 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 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide (CID 43031305) is 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide is CCCCCc1nnc(NC(=O)c2cc(C)no2)s1.
What is the InChIKey of 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is FVNVNPXTYOJNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-4-5-6-10-14-15-12(19-10)13-11(17)9-7-8(2)16-18-9/h7H,3-6H2,1-2H3,(H,13,15,17).
What are the key properties of 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43031305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).