N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C18H15Cl2N3O2 — CID 9071658

IUPACN-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-11-2-4-12(5-3-11)18-23-22-17(25-18)9-8-16(24)21-13-6-7-14(19)15(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyUYQZMWVUGOCYAR-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.92
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 9071658) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID9071658
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-11-2-4-12(5-3-11)18-23-22-17(25-18)9-8-16(24)21-13-6-7-14(19)15(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyUYQZMWVUGOCYAR-UHFFFAOYSA-N
XLogP4.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 134012902
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
N-(3,4-difluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334114
N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334102
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330578
ethyl 4-[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334685
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 134049828

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 9071658) is N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is UYQZMWVUGOCYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-11-2-4-12(5-3-11)18-23-22-17(25-18)9-8-16(24)21-13-6-7-14(19)15(20)10-13/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 376.24 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 9071658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).