5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C17H14ClN3O3S — CID 43977382

IUPAC5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(SC)cc2)o1
InChIInChI=1S/C17H14ClN3O3S/c1-23-14-8-5-11(18)9-13(14)15(22)19-17-21-20-16(24-17)10-3-6-12(25-2)7-4-10/h3-9H,1-2H3,(H,19,21,22)
InChIKeyKPDSJZPMVWIORJ-UHFFFAOYSA-N
MW375.84 g/mol
LogP4.37
Rot. Bonds5

About 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43977382) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43977382
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(SC)cc2)o1
InChIInChI=1S/C17H14ClN3O3S/c1-23-14-8-5-11(18)9-13(14)15(22)19-17-21-20-16(24-17)10-3-6-12(25-2)7-4-10/h3-9H,1-2H3,(H,19,21,22)
InChIKeyKPDSJZPMVWIORJ-UHFFFAOYSA-N
XLogP4.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-nitrobenzamide
CID 43977179
2,3-dimethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578119
5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43973094
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 5185834
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642
1-(5-chloro-2-methoxyphenyl)-3-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 52906586
2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 7655700
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 45283573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43977382) is 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(SC)cc2)o1.
What is the InChIKey of 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is KPDSJZPMVWIORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-23-14-8-5-11(18)9-13(14)15(22)19-17-21-20-16(24-17)10-3-6-12(25-2)7-4-10/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 375.84 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43977382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).