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

C17H24N4O3 — CID 46650148

IUPAC2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C17H24N4O3/c1-5-21(10-15(22)18-12(2)3)11-16-19-17(20-24-16)13-6-8-14(23-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyGXKSWIHZUPKMGJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.09
Rot. Bonds8

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

2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide (PubChem CID 46650148) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
PubChem CID46650148
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C17H24N4O3/c1-5-21(10-15(22)18-12(2)3)11-16-19-17(20-24-16)13-6-8-14(23-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyGXKSWIHZUPKMGJ-UHFFFAOYSA-N
XLogP2.09
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
CID 51223640
N-ethyl-2-[ethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
CID 8683243
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 38176839
N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 86908909
4-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2997308
3-tert-butyl-1-ethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895859
(2R)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 119368338
2,2,2-trichloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
CID 2991324
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanecarboxamide
CID 6464149
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 8836183

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide (CID 46650148) is 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is GXKSWIHZUPKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-21(10-15(22)18-12(2)3)11-16-19-17(20-24-16)13-6-8-14(23-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,18,22).
What are the key properties of 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 332.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 46650148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).