2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide

C20H13Cl2N3O2S — CID 90563709

IUPAC2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H13Cl2N3O2S/c21-13-7-8-15(22)14(11-13)20(26)23-16-5-2-1-4-12(16)10-18-24-19(25-27-18)17-6-3-9-28-17/h1-9,11H,10H2,(H,23,26)
InChIKeyKBLFVFKFTOIYLF-UHFFFAOYSA-N
MW430.32 g/mol
LogP5.95
Rot. Bonds5

About 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide

2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (PubChem CID 90563709) has the molecular formula C20H13Cl2N3O2S and a molecular weight of 430.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
PubChem CID90563709
Molecular FormulaC20H13Cl2N3O2S
Molecular Weight430.32 g/mol
Exact Mass429.01
IUPAC Name2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H13Cl2N3O2S/c21-13-7-8-15(22)14(11-13)20(26)23-16-5-2-1-4-12(16)10-18-24-19(25-27-18)17-6-3-9-28-17/h1-9,11H,10H2,(H,23,26)
InChIKeyKBLFVFKFTOIYLF-UHFFFAOYSA-N
XLogP5.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.32
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563708
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 90563812
5-(furan-2-yl)-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 86263846
1-phenyl-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563863
2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 72717371
4-cyano-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563793
4,5-dimethoxy-2-nitro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563769
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563659
3-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563664
3,3-dimethyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563665
2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide
CID 71800611
5-chloro-2-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563949

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (CID 90563709) is 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The InChIKey is KBLFVFKFTOIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2S/c21-13-7-8-15(22)14(11-13)20(26)23-16-5-2-1-4-12(16)10-18-24-19(25-27-18)17-6-3-9-28-17/h1-9,11H,10H2,(H,23,26).
What are the key properties of 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide has a molecular weight of 430.32 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 90563709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).