3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide

C20H22N4O2 — CID 91834513

IUPAC3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
SMILESCN(CCC(=O)Nc1cccc2ccccc12)Cc1noc(C2CC2)n1
InChIInChI=1S/C20H22N4O2/c1-24(13-18-22-20(26-23-18)15-9-10-15)12-11-19(25)21-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-13H2,1H3,(H,21,25)
InChIKeyFANRHUXVAOZAIC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds7

About 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide (PubChem CID 91834513) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
PubChem CID91834513
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
SMILESCN(CCC(=O)Nc1cccc2ccccc12)Cc1noc(C2CC2)n1
InChIInChI=1S/C20H22N4O2/c1-24(13-18-22-20(26-23-18)15-9-10-15)12-11-19(25)21-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-13H2,1H3,(H,21,25)
InChIKeyFANRHUXVAOZAIC-UHFFFAOYSA-N
XLogP3.56
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea
CID 118773141
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea
CID 72895206
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
CID 53055097
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 61495057
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide (CID 91834513) is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide is CN(CCC(=O)Nc1cccc2ccccc12)Cc1noc(C2CC2)n1.
What is the InChIKey of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide?
The InChIKey is FANRHUXVAOZAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(13-18-22-20(26-23-18)15-9-10-15)12-11-19(25)21-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-13H2,1H3,(H,21,25).
What are the key properties of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide?
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 91834513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).