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

C14H10ClN3O3S — CID 2104603

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C14H10ClN3O3S/c15-11-7-6-10(22-11)13-17-18-14(21-13)16-12(19)8-20-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18,19)
InChIKeyKXHZJFLJENXRHA-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.47
Rot. Bonds5

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

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 2104603) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
PubChem CID2104603
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C14H10ClN3O3S/c15-11-7-6-10(22-11)13-17-18-14(21-13)16-12(19)8-20-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18,19)
InChIKeyKXHZJFLJENXRHA-UHFFFAOYSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4363012
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 1086855
2-((4-chlorophenyl)thio)-N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 7254636
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-(2-fluorophenoxy)-N-(5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 56763936
N-(5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl)-3-phenoxypropanamide
CID 4194354
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]-4-ethoxybenzamide
CID 4251587
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]-2-phenoxyacetamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide (CID 2104603) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is KXHZJFLJENXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-11-7-6-10(22-11)13-17-18-14(21-13)16-12(19)8-20-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18,19).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 335.77 g/mol, XLogP of 3.47, 5 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]-2-phenoxyacetamide is sourced from PubChem (CID 2104603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).