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

C16H18ClN3O2 — CID 86819551

IUPAC3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClN3O2/c1-11(2)9-10-18-14(21)7-8-15-19-20-16(22-15)12-3-5-13(17)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)
InChIKeyDDLPIXOFJZVCML-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.40
Rot. Bonds6

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

3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide (PubChem CID 86819551) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide
PubChem CID86819551
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClN3O2/c1-11(2)9-10-18-14(21)7-8-15-19-20-16(22-15)12-3-5-13(17)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)
InChIKeyDDLPIXOFJZVCML-UHFFFAOYSA-N
XLogP3.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 17423614
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110334614
N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330476
ethyl 4-[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334685
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 24600996
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 96509436
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide (CID 86819551) is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide is CC(C)=CCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide?
The InChIKey is DDLPIXOFJZVCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11(2)9-10-18-14(21)7-8-15-19-20-16(22-15)12-3-5-13(17)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide?
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide is sourced from PubChem (CID 86819551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).