N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

C15H23N5O2S — CID 17481577

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
SMILESCCCCCn1cnnc1SC(CC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H23N5O2S/c1-4-6-7-8-20-10-16-18-15(20)23-12(5-2)14(21)17-13-9-11(3)22-19-13/h9-10,12H,4-8H2,1-3H3,(H,17,19,21)
InChIKeyKGDOCMVTMDHRFH-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.27
Rot. Bonds9

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide (PubChem CID 17481577) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
PubChem CID17481577
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
SMILESCCCCCn1cnnc1SC(CC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H23N5O2S/c1-4-6-7-8-20-10-16-18-15(20)23-12(5-2)14(21)17-13-9-11(3)22-19-13/h9-10,12H,4-8H2,1-3H3,(H,17,19,21)
InChIKeyKGDOCMVTMDHRFH-UHFFFAOYSA-N
XLogP3.27
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide with MolForge

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Related Compounds

(2R)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 25332329
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40789721
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8987962
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 17410604
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide
CID 51263679
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2621595
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 51074093
(2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 40792069
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 51263711
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17441380
2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 43034396

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide (CID 17481577) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide is CCCCCn1cnnc1SC(CC)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide?
The InChIKey is KGDOCMVTMDHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-4-6-7-8-20-10-16-18-15(20)23-12(5-2)14(21)17-13-9-11(3)22-19-13/h9-10,12H,4-8H2,1-3H3,(H,17,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide has a molecular weight of 337.45 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]butanamide is sourced from PubChem (CID 17481577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).