N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide

C16H19N3O3S — CID 653034

IUPACN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C16H19N3O3S/c20-14(9-5-10-21-12-6-2-1-3-7-12)17-16-19-18-15(23-16)13-8-4-11-22-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,19,20)
InChIKeyVCFQSRFYWZXPJI-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.19
Rot. Bonds7

About N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide

N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide (PubChem CID 653034) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
PubChem CID653034
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C16H19N3O3S/c20-14(9-5-10-21-12-6-2-1-3-7-12)17-16-19-18-15(23-16)13-8-4-11-22-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,19,20)
InChIKeyVCFQSRFYWZXPJI-UHFFFAOYSA-N
XLogP3.19
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenoxybutanamide
CID 3148068
4-(4-Methoxy-phenoxy)-N-[5-(tetrahydro-furan-2-yl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 645252
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811240
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)acetamide
CID 838732
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide
CID 2932483
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2948040
4-(2-methoxyphenoxy)-N-[5-(tetrahydro-2-furanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2956985
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
CID 921302
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 2973785
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 810814
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811250

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide (CID 653034) is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide?
The InChIKey is VCFQSRFYWZXPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-14(9-5-10-21-12-6-2-1-3-7-12)17-16-19-18-15(23-16)13-8-4-11-22-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,19,20).
What are the key properties of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide?
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide has a molecular weight of 333.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide is sourced from PubChem (CID 653034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).