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

C16H19N3O3 — CID 167922337

IUPACmethyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-19(10-14-17-15(22-18-14)12-7-8-12)9-11-3-5-13(6-4-11)16(20)21-2/h3-6,12H,7-10H2,1-2H3
InChIKeyPGZZJAKEYBVXCG-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.37
Rot. Bonds6

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

methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate (PubChem CID 167922337) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
PubChem CID167922337
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-19(10-14-17-15(22-18-14)12-7-8-12)9-11-3-5-13(6-4-11)16(20)21-2/h3-6,12H,7-10H2,1-2H3
InChIKeyPGZZJAKEYBVXCG-UHFFFAOYSA-N
XLogP2.37
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate with MolForge

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Related Compounds

methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
methyl 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoate
CID 75384594
ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 91834513
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate
CID 56915722
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate (CID 167922337) is methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate is COC(=O)c1ccc(CN(C)Cc2noc(C3CC3)n2)cc1.
What is the InChIKey of methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate?
The InChIKey is PGZZJAKEYBVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19(10-14-17-15(22-18-14)12-7-8-12)9-11-3-5-13(6-4-11)16(20)21-2/h3-6,12H,7-10H2,1-2H3.
What are the key properties of methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate?
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate has a molecular weight of 301.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate is sourced from PubChem (CID 167922337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).