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

C18H23N3O7 — CID 36687112

IUPAC(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCCCc1noc(COC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C18H23N3O7/c1-5-6-14-20-15(28-21-14)10-27-16(22)9-19-18(23)11-7-12(24-2)17(26-4)13(8-11)25-3/h7-8H,5-6,9-10H2,1-4H3,(H,19,23)
InChIKeyXFFRXFAAHQJOLA-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.52
Rot. Bonds10

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

(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 36687112) has the molecular formula C18H23N3O7 and a molecular weight of 393.40 g/mol. Its IUPAC name is (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID36687112
Molecular FormulaC18H23N3O7
Molecular Weight393.40 g/mol
Exact Mass393.15
IUPAC Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCCCc1noc(COC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C18H23N3O7/c1-5-6-14-20-15(28-21-14)10-27-16(22)9-19-18(23)11-7-12(24-2)17(26-4)13(8-11)25-3/h7-8H,5-6,9-10H2,1-4H3,(H,19,23)
InChIKeyXFFRXFAAHQJOLA-UHFFFAOYSA-N
XLogP1.52
TPSA122.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55356834
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55390112
(3,3-dimethyl-2-oxobutyl) 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40589265
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,4,5-trichlorophenoxy)acetate
CID 55562882
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55499949
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 35512107
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899328
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899329
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
3-bromo-5-methoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495152

Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 36687112) is (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is CCCc1noc(COC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is XFFRXFAAHQJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O7/c1-5-6-14-20-15(28-21-14)10-27-16(22)9-19-18(23)11-7-12(24-2)17(26-4)13(8-11)25-3/h7-8H,5-6,9-10H2,1-4H3,(H,19,23).
What are the key properties of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 393.40 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 36687112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).