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

C18H16ClN3O2 — CID 110334370

IUPACN-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cccc(-c2nnc(CCC(=O)Nc3cccc(Cl)c3)o2)c1
InChIInChI=1S/C18H16ClN3O2/c1-12-4-2-5-13(10-12)18-22-21-17(24-18)9-8-16(23)20-15-7-3-6-14(19)11-15/h2-7,10-11H,8-9H2,1H3,(H,20,23)
InChIKeyAQGULOMZMROIJC-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.27
Rot. Bonds5

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

N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334370) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334370
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cccc(-c2nnc(CCC(=O)Nc3cccc(Cl)c3)o2)c1
InChIInChI=1S/C18H16ClN3O2/c1-12-4-2-5-13(10-12)18-22-21-17(24-18)9-8-16(23)20-15-7-3-6-14(19)11-15/h2-7,10-11H,8-9H2,1H3,(H,20,23)
InChIKeyAQGULOMZMROIJC-UHFFFAOYSA-N
XLogP4.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110334389
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334407
N-(3-chlorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334527
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 110334418
N-(3-chlorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330310
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
N-(2-methoxyethyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334282
N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334279

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334370) is N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1cccc(-c2nnc(CCC(=O)Nc3cccc(Cl)c3)o2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is AQGULOMZMROIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-4-2-5-13(10-12)18-22-21-17(24-18)9-8-16(23)20-15-7-3-6-14(19)11-15/h2-7,10-11H,8-9H2,1H3,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 341.80 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).