N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide

C15H12ClN3O3S — CID 4194354

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C15H12ClN3O3S/c16-12-7-6-11(23-12)14-18-19-15(22-14)17-13(20)8-9-21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20)
InChIKeyRGCGXRIUWKSXCE-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.86
Rot. Bonds6

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide (PubChem CID 4194354) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
PubChem CID4194354
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C15H12ClN3O3S/c16-12-7-6-11(23-12)14-18-19-15(22-14)17-13(20)8-9-21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20)
InChIKeyRGCGXRIUWKSXCE-UHFFFAOYSA-N
XLogP3.86
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 3314184
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 1086855
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 2104603
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 3466279
N-(5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
CID 43972882
2-(4-chlorophenoxy)-N-(5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 42110010
N-(5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 43972978
2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 52904187
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide
CID 2104599
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 4251587
2-ethoxy-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 162506181
N-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]-(S)-2,3-dihydro-1,4-benzodioxin-2-carboxamide
CID 2104513

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide (CID 4194354) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
The InChIKey is RGCGXRIUWKSXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-12-7-6-11(23-12)14-18-19-15(22-14)17-13(20)8-9-21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19,20).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide has a molecular weight of 349.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide is sourced from PubChem (CID 4194354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).