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

C17H16ClN3O3S — CID 2104567

IUPAC3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)c1
InChIInChI=1S/C17H16ClN3O3S/c1-2-3-9-23-12-6-4-5-11(10-12)15(22)19-17-21-20-16(24-17)13-7-8-14(18)25-13/h4-8,10H,2-3,9H2,1H3,(H,19,21,22)
InChIKeyNEZITCHQXPUZNO-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.88
Rot. Bonds7

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

3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2104567) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2104567
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)c1
InChIInChI=1S/C17H16ClN3O3S/c1-2-3-9-23-12-6-4-5-11(10-12)15(22)19-17-21-20-16(24-17)13-7-8-14(18)25-13/h4-8,10H,2-3,9H2,1H3,(H,19,21,22)
InChIKeyNEZITCHQXPUZNO-UHFFFAOYSA-N
XLogP4.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.88
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-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 4085017
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 4154111
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
3-butoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578184
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
3-butoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028171
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 43976718
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 43975905
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 2104560
4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4168904
4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4053542
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2104567) is 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)c1.
What is the InChIKey of 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NEZITCHQXPUZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-2-3-9-23-12-6-4-5-11(10-12)15(22)19-17-21-20-16(24-17)13-7-8-14(18)25-13/h4-8,10H,2-3,9H2,1H3,(H,19,21,22).
What are the key properties of 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 377.85 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2104567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).