2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide

C14H9Cl2N3O3S — CID 52904187

IUPAC2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nnc(COc2ccccc2)o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H9Cl2N3O3S/c15-10-6-9(12(16)23-10)13(20)17-14-19-18-11(22-14)7-21-8-4-2-1-3-5-8/h1-6H,7H2,(H,17,19,20)
InChIKeyBRIACUOCBMQVIL-UHFFFAOYSA-N
MW370.22 g/mol
LogP4.27
Rot. Bonds5

About 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide

2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide (PubChem CID 52904187) has the molecular formula C14H9Cl2N3O3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
PubChem CID52904187
Molecular FormulaC14H9Cl2N3O3S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nnc(COc2ccccc2)o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H9Cl2N3O3S/c15-10-6-9(12(16)23-10)13(20)17-14-19-18-11(22-14)7-21-8-4-2-1-3-5-8/h1-6H,7H2,(H,17,19,20)
InChIKeyBRIACUOCBMQVIL-UHFFFAOYSA-N
XLogP4.27
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl)-3-phenoxypropanamide
CID 4194354
N-(5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 43972978
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 4251587
2,5-dichloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 4305628
N-(5-((5-chlorothiophen-2-yl)methyl)-1,3,4-oxadiazol-2-yl)-2-phenoxyacetamide
CID 25284412
N-(5-((5-chlorothiophen-2-yl)methyl)-1,3,4-oxadiazol-2-yl)-4-methoxybenzamide
CID 41783806
2-(4-chlorophenoxy)-2-methyl-N-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)propanamide
CID 49677864
2-(2-fluorophenoxy)-N-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 49677865

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide (CID 52904187) is 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide is O=C(Nc1nnc(COc2ccccc2)o1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is BRIACUOCBMQVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3S/c15-10-6-9(12(16)23-10)13(20)17-14-19-18-11(22-14)7-21-8-4-2-1-3-5-8/h1-6H,7H2,(H,17,19,20).
What are the key properties of 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 370.22 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 52904187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).