N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide

C12H20N4O2 — CID 114183997

IUPACN-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
SMILESO=C(CNCCc1ncon1)NC1CCCCC1
InChIInChI=1S/C12H20N4O2/c17-12(15-10-4-2-1-3-5-10)8-13-7-6-11-14-9-18-16-11/h9-10,13H,1-8H2,(H,15,17)
InChIKeyWNBSVVMYXXYKQM-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.65
Rot. Bonds6

About N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide

N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide (PubChem CID 114183997) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
PubChem CID114183997
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
SMILESO=C(CNCCc1ncon1)NC1CCCCC1
InChIInChI=1S/C12H20N4O2/c17-12(15-10-4-2-1-3-5-10)8-13-7-6-11-14-9-18-16-11/h9-10,13H,1-8H2,(H,15,17)
InChIKeyWNBSVVMYXXYKQM-UHFFFAOYSA-N
XLogP0.65
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 106400784
N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683107
2-(cyclopropylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397634
N-cycloheptyl-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177432
N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106401239
N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400786
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106402019
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide (CID 114183997) is N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide is O=C(CNCCc1ncon1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The InChIKey is WNBSVVMYXXYKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c17-12(15-10-4-2-1-3-5-10)8-13-7-6-11-14-9-18-16-11/h9-10,13H,1-8H2,(H,15,17).
What are the key properties of N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 114183997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).