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

C18H17N3O4 — CID 133481785

IUPACmethyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNc2noc(-c3ccccc3)n2)ccc1OC
InChIInChI=1S/C18H17N3O4/c1-23-15-9-8-12(10-14(15)17(22)24-2)11-19-18-20-16(25-21-18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeySOIJGLQTNKDHGB-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.14
Rot. Bonds6

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

methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate (PubChem CID 133481785) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate
PubChem CID133481785
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNc2noc(-c3ccccc3)n2)ccc1OC
InChIInChI=1S/C18H17N3O4/c1-23-15-9-8-12(10-14(15)17(22)24-2)11-19-18-20-16(25-21-18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeySOIJGLQTNKDHGB-UHFFFAOYSA-N
XLogP3.14
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol
CID 133482297
2-(2-methoxyphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897192
methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
CID 17415360
methyl 5-[[[ethylamino-[(2-phenyl-1,3-oxazol-4-yl)methylamino]methylidene]amino]methyl]-2-methoxybenzoate
CID 111552953
methyl 2-methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoate
CID 118989126
N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzenesulfonamide
CID 75509828
methyl 5-(methanesulfonamidomethyl)-2-methoxybenzoate
CID 51179291
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483110
(Z)-but-2-enedioic acid;methyl 2-methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoate
CID 162339182
methyl 2-methoxy-5-[(4-methoxy-3-methoxycarbonylphenyl)methylselanylmethyl]benzoate
CID 58884067
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate (CID 133481785) is methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate is COC(=O)c1cc(CNc2noc(-c3ccccc3)n2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate?
The InChIKey is SOIJGLQTNKDHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-15-9-8-12(10-14(15)17(22)24-2)11-19-18-20-16(25-21-18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate?
methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate has a molecular weight of 339.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzoate is sourced from PubChem (CID 133481785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).