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

C19H12ClN3O3S — CID 2104599

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H12ClN3O3S/c20-16-11-10-15(27-16)18-22-23-19(26-18)21-17(24)13-8-4-5-9-14(13)25-12-6-2-1-3-7-12/h1-11H,(H,21,23,24)
InChIKeySOUSWEJSKUWSDO-UHFFFAOYSA-N
MW397.84 g/mol
LogP5.50
Rot. Bonds5

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

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide (PubChem CID 2104599) has the molecular formula C19H12ClN3O3S and a molecular weight of 397.84 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide
PubChem CID2104599
Molecular FormulaC19H12ClN3O3S
Molecular Weight397.84 g/mol
Exact Mass397.03
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H12ClN3O3S/c20-16-11-10-15(27-16)18-22-23-19(26-18)21-17(24)13-8-4-5-9-14(13)25-12-6-2-1-3-7-12/h1-11H,(H,21,23,24)
InChIKeySOUSWEJSKUWSDO-UHFFFAOYSA-N
XLogP5.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.84
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 3314184
US9687479, 383 N-[(5-chlorofuran-2-yl)methyl]-1-[(2-methoxyphenyl)carbonyl]-3-phenyl-1H-1,2,4-triazol-5-amine
CID 71543848
3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 2104499
2,5-dichloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
CID 4404202
N-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235609
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 8414043
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 4079522
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 4046899
3-chloro-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 4121727
5-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3453348
4-(benzyloxy)-2-methoxy-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 162506127
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266919

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide (CID 2104599) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide is O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide?
The InChIKey is SOUSWEJSKUWSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3S/c20-16-11-10-15(27-16)18-22-23-19(26-18)21-17(24)13-8-4-5-9-14(13)25-12-6-2-1-3-7-12/h1-11H,(H,21,23,24).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxybenzamide has a molecular weight of 397.84 g/mol, XLogP of 5.50, 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]-2-phenoxybenzamide is sourced from PubChem (CID 2104599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).