2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

C12H21N5O4 — CID 118766115

IUPAC2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCOCCc1noc(C(C)NC(=O)CNC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O4/c1-8(11-15-9(16-21-11)5-6-20-4)14-10(18)7-13-12(19)17(2)3/h8H,5-7H2,1-4H3,(H,13,19)(H,14,18)
InChIKeyHCIZSIFOEHLQDI-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.29
Rot. Bonds7

About 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide

2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 118766115) has the molecular formula C12H21N5O4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID118766115
Molecular FormulaC12H21N5O4
Molecular Weight299.33 g/mol
Exact Mass299.16
IUPAC Name2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCOCCc1noc(C(C)NC(=O)CNC(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O4/c1-8(11-15-9(16-21-11)5-6-20-4)14-10(18)7-13-12(19)17(2)3/h8H,5-7H2,1-4H3,(H,13,19)(H,14,18)
InChIKeyHCIZSIFOEHLQDI-UHFFFAOYSA-N
XLogP-0.29
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 118766115) is 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is COCCc1noc(C(C)NC(=O)CNC(=O)N(C)C)n1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is HCIZSIFOEHLQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O4/c1-8(11-15-9(16-21-11)5-6-20-4)14-10(18)7-13-12(19)17(2)3/h8H,5-7H2,1-4H3,(H,13,19)(H,14,18).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 299.33 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 118766115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).