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

C17H14Cl2N4O2 — CID 170108236

IUPACN-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2noc(Cc3ccc(Cl)c(Cl)c3)n2)cn1
InChIInChI=1S/C17H14Cl2N4O2/c1-2-15(24)21-14-6-4-11(9-20-14)17-22-16(25-23-17)8-10-3-5-12(18)13(19)7-10/h3-7,9H,2,8H2,1H3,(H,20,21,24)
InChIKeyZTWOHWLLUMGWDD-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.38
Rot. Bonds5

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

N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide (PubChem CID 170108236) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
PubChem CID170108236
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC NameN-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2noc(Cc3ccc(Cl)c(Cl)c3)n2)cn1
InChIInChI=1S/C17H14Cl2N4O2/c1-2-15(24)21-14-6-4-11(9-20-14)17-22-16(25-23-17)8-10-3-5-12(18)13(19)7-10/h3-7,9H,2,8H2,1H3,(H,20,21,24)
InChIKeyZTWOHWLLUMGWDD-UHFFFAOYSA-N
XLogP4.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
5-[(4-chloro-3-nitrophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
CID 162730926
5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
CID 162730893
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065
3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 112571960
3-(3,4-dichlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100598083
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzene-1,2-diol
CID 122189976
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474355
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanoic acid
CID 81491827
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
CID 122176663

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide (CID 170108236) is N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(-c2noc(Cc3ccc(Cl)c(Cl)c3)n2)cn1.
What is the InChIKey of N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide?
The InChIKey is ZTWOHWLLUMGWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-2-15(24)21-14-6-4-11(9-20-14)17-22-16(25-23-17)8-10-3-5-12(18)13(19)7-10/h3-7,9H,2,8H2,1H3,(H,20,21,24).
What are the key properties of N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide?
N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide has a molecular weight of 377.23 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 170108236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).