N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide

C16H25N3O2 — CID 50955372

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)C1CC=CCC1
InChIInChI=1S/C16H25N3O2/c1-4-19(16(20)13-8-6-5-7-9-13)11-14-17-15(21-18-14)10-12(2)3/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyMZTZGUQMEQBKNN-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 50955372) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID50955372
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)C1CC=CCC1
InChIInChI=1S/C16H25N3O2/c1-4-19(16(20)13-8-6-5-7-9-13)11-14-17-15(21-18-14)10-12(2)3/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyMZTZGUQMEQBKNN-UHFFFAOYSA-N
XLogP2.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-Propyl-1,2,4-oxadiazol-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 71877645
2-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 71877646
2-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 75370253
5-[(1S)-cyclohex-3-en-1-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 97558806
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 97929507
2-cyclohex-2-en-1-yl-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 132381680
1-cyclohex-3-en-1-yl-N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylmethanamine
CID 154753666
5-(1-Acetylpiperidin-2-yl)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 50951038
(1R*,2R*,4R*)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56743793
Cyclohex-3-ene-1-carboxamide;5-piperidin-1-yl-3-propan-2-yl-1,2,4-oxadiazole
CID 160610393
Tert-butyl 3-[(5-but-3-enyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate
CID 175991557
(1R)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 29029870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 50955372) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)C1CC=CCC1.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is MZTZGUQMEQBKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(16(20)13-8-6-5-7-9-13)11-14-17-15(21-18-14)10-12(2)3/h5-6,12-13H,4,7-11H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 50955372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).