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

C15H12ClN3O3S — CID 4251587

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C15H12ClN3O3S/c1-2-21-10-5-3-9(4-6-10)13(20)17-15-19-18-14(22-15)11-7-8-12(16)23-11/h3-8H,2H2,1H3,(H,17,19,20)
InChIKeySFSQWJMMSJYNEA-UHFFFAOYSA-N
MW349.80 g/mol
LogP4.10
Rot. Bonds5

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

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide (PubChem CID 4251587) 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]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
PubChem CID4251587
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C15H12ClN3O3S/c1-2-21-10-5-3-9(4-6-10)13(20)17-15-19-18-14(22-15)11-7-8-12(16)23-11/h3-8H,2H2,1H3,(H,17,19,20)
InChIKeySFSQWJMMSJYNEA-UHFFFAOYSA-N
XLogP4.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide (CID 4251587) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The InChIKey is SFSQWJMMSJYNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-2-21-10-5-3-9(4-6-10)13(20)17-15-19-18-14(22-15)11-7-8-12(16)23-11/h3-8H,2H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide has a molecular weight of 349.80 g/mol, XLogP of 4.10, 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]-4-ethoxybenzamide is sourced from PubChem (CID 4251587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).