N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C17H24N4O3 — CID 110334870

IUPACN-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1cccc(-c2nnc(CCC(=O)NCCCN(C)C)o2)c1
InChIInChI=1S/C17H24N4O3/c1-21(2)11-5-10-18-15(22)8-9-16-19-20-17(24-16)13-6-4-7-14(12-13)23-3/h4,6-7,12H,5,8-11H2,1-3H3,(H,18,22)
InChIKeyVMXXCPJOEXJGBQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.75
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334870) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334870
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1cccc(-c2nnc(CCC(=O)NCCCN(C)C)o2)c1
InChIInChI=1S/C17H24N4O3/c1-21(2)11-5-10-18-15(22)8-9-16-19-20-17(24-16)13-6-4-7-14(12-13)23-3/h4,6-7,12H,5,8-11H2,1-3H3,(H,18,22)
InChIKeyVMXXCPJOEXJGBQ-UHFFFAOYSA-N
XLogP1.75
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110334918
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pentanamide
CID 110321805
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
N-(4-acetamidophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334977
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609
2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
CID 110321810
N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335010
methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334979
N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334933

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334870) is N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is COc1cccc(-c2nnc(CCC(=O)NCCCN(C)C)o2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is VMXXCPJOEXJGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-21(2)11-5-10-18-15(22)8-9-16-19-20-17(24-16)13-6-4-7-14(12-13)23-3/h4,6-7,12H,5,8-11H2,1-3H3,(H,18,22).
What are the key properties of N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 332.40 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).