N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide

C14H14N4O3S2 — CID 134001431

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
SMILESCc1cc(NC(=O)CCSCc2nc(-c3cccs3)no2)no1
InChIInChI=1S/C14H14N4O3S2/c1-9-7-11(17-20-9)15-12(19)4-6-22-8-13-16-14(18-21-13)10-3-2-5-23-10/h2-3,5,7H,4,6,8H2,1H3,(H,15,17,19)
InChIKeyFGLCXPOIXMFKJD-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.36
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide (PubChem CID 134001431) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
PubChem CID134001431
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
SMILESCc1cc(NC(=O)CCSCc2nc(-c3cccs3)no2)no1
InChIInChI=1S/C14H14N4O3S2/c1-9-7-11(17-20-9)15-12(19)4-6-22-8-13-16-14(18-21-13)10-3-2-5-23-10/h2-3,5,7H,4,6,8H2,1H3,(H,15,17,19)
InChIKeyFGLCXPOIXMFKJD-UHFFFAOYSA-N
XLogP3.36
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 71985268
N-[(1S)-1-phenylethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 51724996
N-(2-fluoro-5-methylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36666041
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43238093
2-methyl-N-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanamide
CID 36557890
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563659
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34946052
N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide (CID 134001431) is N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide is Cc1cc(NC(=O)CCSCc2nc(-c3cccs3)no2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is FGLCXPOIXMFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c1-9-7-11(17-20-9)15-12(19)4-6-22-8-13-16-14(18-21-13)10-3-2-5-23-10/h2-3,5,7H,4,6,8H2,1H3,(H,15,17,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 350.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 134001431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).