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

C15H12ClN3O4S — CID 4176864

IUPAC5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c(OC)c1
InChIInChI=1S/C15H12ClN3O4S/c1-21-8-3-4-9(10(7-8)22-2)14-18-19-15(23-14)17-13(20)11-5-6-12(16)24-11/h3-7H,1-2H3,(H,17,19,20)
InChIKeyDDSXTPWCLZEISR-UHFFFAOYSA-N
MW365.80 g/mol
LogP3.72
Rot. Bonds5

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

5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 4176864) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID4176864
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC Name5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c(OC)c1
InChIInChI=1S/C15H12ClN3O4S/c1-21-8-3-4-9(10(7-8)22-2)14-18-19-15(23-14)17-13(20)11-5-6-12(16)24-11/h3-7H,1-2H3,(H,17,19,20)
InChIKeyDDSXTPWCLZEISR-UHFFFAOYSA-N
XLogP3.72
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959643
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 4149199
3-bromo-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4092895
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43973071
4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4168904
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 4085017
S-[2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxoethyl] ethanethioate
CID 16949205
5-chloro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 7294998
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 4176864) is 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c(OC)c1.
What is the InChIKey of 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is DDSXTPWCLZEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c1-21-8-3-4-9(10(7-8)22-2)14-18-19-15(23-14)17-13(20)11-5-6-12(16)24-11/h3-7H,1-2H3,(H,17,19,20).
What are the key properties of 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 365.80 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4176864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).