2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

C13H22N4O3 — CID 163775309

IUPAC2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
SMILESCCNC(C)C(=O)NC1CCC(c2noc(=O)[nH]2)CC1
InChIInChI=1S/C13H22N4O3/c1-3-14-8(2)12(18)15-10-6-4-9(5-7-10)11-16-13(19)20-17-11/h8-10,14H,3-7H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyMJXJSVFZFWBSGH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.50
Rot. Bonds5

About 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide (PubChem CID 163775309) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
PubChem CID163775309
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
SMILESCCNC(C)C(=O)NC1CCC(c2noc(=O)[nH]2)CC1
InChIInChI=1S/C13H22N4O3/c1-3-14-8(2)12(18)15-10-6-4-9(5-7-10)11-16-13(19)20-17-11/h8-10,14H,3-7H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyMJXJSVFZFWBSGH-UHFFFAOYSA-N
XLogP0.50
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylcyclohexyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082758
N-(4-methylcyclohexyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 154796898

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The IUPAC name of 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide (CID 163775309) is 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The canonical SMILES for 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide is CCNC(C)C(=O)NC1CCC(c2noc(=O)[nH]2)CC1.
What is the InChIKey of 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The InChIKey is MJXJSVFZFWBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-14-8(2)12(18)15-10-6-4-9(5-7-10)11-16-13(19)20-17-11/h8-10,14H,3-7H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide is sourced from PubChem (CID 163775309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).