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

C19H18N4O6 — CID 55499949

IUPAC(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2nc(-c3cccnc3)no2)cc1OC
InChIInChI=1S/C19H18N4O6/c1-26-14-6-5-12(8-15(14)27-2)19(25)21-10-17(24)28-11-16-22-18(23-29-16)13-4-3-7-20-9-13/h3-9H,10-11H2,1-2H3,(H,21,25)
InChIKeyMCOGSCMIDWGDBH-UHFFFAOYSA-N
MW398.38 g/mol
LogP1.62
Rot. Bonds8

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

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (PubChem CID 55499949) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
PubChem CID55499949
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2nc(-c3cccnc3)no2)cc1OC
InChIInChI=1S/C19H18N4O6/c1-26-14-6-5-12(8-15(14)27-2)19(25)21-10-17(24)28-11-16-22-18(23-29-16)13-4-3-7-20-9-13/h3-9H,10-11H2,1-2H3,(H,21,25)
InChIKeyMCOGSCMIDWGDBH-UHFFFAOYSA-N
XLogP1.62
TPSA125.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55390112
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 29498043
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-(3,4-dimethoxyphenyl)acetate
CID 55568618
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methylphenoxy)acetate
CID 29433226
5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1105282
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-dimethoxybenzoate
CID 40747862
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 55568956
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
CID 53167469
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[(2-methylbenzoyl)amino]propanoate
CID 33091507

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (CID 55499949) is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCc2nc(-c3cccnc3)no2)cc1OC.
What is the InChIKey of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The InChIKey is MCOGSCMIDWGDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-26-14-6-5-12(8-15(14)27-2)19(25)21-10-17(24)28-11-16-22-18(23-29-16)13-4-3-7-20-9-13/h3-9H,10-11H2,1-2H3,(H,21,25).
What are the key properties of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate has a molecular weight of 398.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 55499949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).