N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide

C16H22N4O3 — CID 134001035

IUPACN-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C16H22N4O3/c1-4-17-15(21)11-20(5-2)10-14-18-16(23-19-14)12-6-8-13(22-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)
InChIKeyBQWCGDZUOKIDCG-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.70
Rot. Bonds8

About N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide

N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide (PubChem CID 134001035) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide
PubChem CID134001035
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C16H22N4O3/c1-4-17-15(21)11-20(5-2)10-14-18-16(23-19-14)12-6-8-13(22-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)
InChIKeyBQWCGDZUOKIDCG-UHFFFAOYSA-N
XLogP1.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
N-ethyl-2-[ethyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetamide
CID 82986658
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-ethylbutanoate
CID 60562016
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
CID 42764937
N-ethyl-2-[ethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
CID 8683243
2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
CID 46650148
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide (CID 134001035) is N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide is CCNC(=O)CN(CC)Cc1noc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide?
The InChIKey is BQWCGDZUOKIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-17-15(21)11-20(5-2)10-14-18-16(23-19-14)12-6-8-13(22-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide?
N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetamide is sourced from PubChem (CID 134001035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).