methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate

C19H27N3O5 — CID 47548875

IUPACmethyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
SMILESCCCCc1nc(CN(CC(=O)OC)Cc2cc(OC)cc(OC)c2)no1
InChIInChI=1S/C19H27N3O5/c1-5-6-7-18-20-17(21-27-18)12-22(13-19(23)26-4)11-14-8-15(24-2)10-16(9-14)25-3/h8-10H,5-7,11-13H2,1-4H3
InChIKeyOKUGOEZZFBJWAN-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.60
Rot. Bonds11

About methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate

methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate (PubChem CID 47548875) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
PubChem CID47548875
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namemethyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
SMILESCCCCc1nc(CN(CC(=O)OC)Cc2cc(OC)cc(OC)c2)no1
InChIInChI=1S/C19H27N3O5/c1-5-6-7-18-20-17(21-27-18)12-22(13-19(23)26-4)11-14-8-15(24-2)10-16(9-14)25-3/h8-10H,5-7,11-13H2,1-4H3
InChIKeyOKUGOEZZFBJWAN-UHFFFAOYSA-N
XLogP2.60
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate with MolForge

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Related Compounds

methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474456
methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
CID 62012272
methyl 2-[ethyl-[(3-methoxy-5-nitrophenyl)methyl]amino]acetate
CID 81166191
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
[3-[[(3,5-dimethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751120
methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548923
methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548926
methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
CID 62025875
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
CID 80656944
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 47070086
1-butyl-3,5-dimethoxybenzene
CID 524875
methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
CID 80710052

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate (CID 47548875) is methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate is CCCCc1nc(CN(CC(=O)OC)Cc2cc(OC)cc(OC)c2)no1.
What is the InChIKey of methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The InChIKey is OKUGOEZZFBJWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-5-6-7-18-20-17(21-27-18)12-22(13-19(23)26-4)11-14-8-15(24-2)10-16(9-14)25-3/h8-10H,5-7,11-13H2,1-4H3.
What are the key properties of methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate has a molecular weight of 377.44 g/mol, XLogP of 2.60, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate is sourced from PubChem (CID 47548875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).