2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide

C18H18N4O3 — CID 71800533

IUPAC2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESCCOCC(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C18H18N4O3/c1-2-24-12-16(23)20-15-6-4-3-5-14(15)11-17-21-18(22-25-17)13-7-9-19-10-8-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyUORQSNZVLRKUDX-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.70
Rot. Bonds7

About 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide

2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (PubChem CID 71800533) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
PubChem CID71800533
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESCCOCC(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C18H18N4O3/c1-2-24-12-16(23)20-15-6-4-3-5-14(15)11-17-21-18(22-25-17)13-7-9-19-10-8-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyUORQSNZVLRKUDX-UHFFFAOYSA-N
XLogP2.70
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90563058
2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563093
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90562977
3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077
N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide
CID 90563219
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
1-(2-ethoxyphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562672
3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 90563028

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (CID 71800533) is 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is CCOCC(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1.
What is the InChIKey of 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The InChIKey is UORQSNZVLRKUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-24-12-16(23)20-15-6-4-3-5-14(15)11-17-21-18(22-25-17)13-7-9-19-10-8-13/h3-10H,2,11-12H2,1H3,(H,20,23).
What are the key properties of 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 71800533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).