methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate

C19H25N3O4 — CID 120842271

IUPACmethyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2noc(CC3(CN)CCCCC3)n2)c1
InChIInChI=1S/C19H25N3O4/c1-24-18(23)14-6-5-7-15(10-14)25-12-16-21-17(26-22-16)11-19(13-20)8-3-2-4-9-19/h5-7,10H,2-4,8-9,11-13,20H2,1H3
InChIKeyKUBCOPSKXVFBSY-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.89
Rot. Bonds7

About methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate

methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate (PubChem CID 120842271) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
PubChem CID120842271
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2noc(CC3(CN)CCCCC3)n2)c1
InChIInChI=1S/C19H25N3O4/c1-24-18(23)14-6-5-7-15(10-14)25-12-16-21-17(26-22-16)11-19(13-20)8-3-2-4-9-19/h5-7,10H,2-4,8-9,11-13,20H2,1H3
InChIKeyKUBCOPSKXVFBSY-UHFFFAOYSA-N
XLogP2.89
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate with MolForge

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Related Compounds

methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 52618291
methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride
CID 120842254
methyl 3-[[5-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 138009454
[1-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120893497
2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120841840
[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161030
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzamide
CID 126792448
2-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentyl]acetic acid
CID 54977860
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842283
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
ethyl 5-[[1-(aminomethyl)cyclobutyl]methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631523
methyl 3-ethoxybenzoate
CID 3267781

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The IUPAC name of methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate (CID 120842271) is methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate is COC(=O)c1cccc(OCc2noc(CC3(CN)CCCCC3)n2)c1.
What is the InChIKey of methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The InChIKey is KUBCOPSKXVFBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-24-18(23)14-6-5-7-15(10-14)25-12-16-21-17(26-22-16)11-19(13-20)8-3-2-4-9-19/h5-7,10H,2-4,8-9,11-13,20H2,1H3.
What are the key properties of methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate has a molecular weight of 359.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate is sourced from PubChem (CID 120842271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).