1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea

C15H24N4O3 — CID 95975973

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCCO[C@H](C)c1noc(CNC(=O)NC[C@H]2CC=CCC2)n1
InChIInChI=1S/C15H24N4O3/c1-3-21-11(2)14-18-13(22-19-14)10-17-15(20)16-9-12-7-5-4-6-8-12/h4-5,11-12H,3,6-10H2,1-2H3,(H2,16,17,20)/t11-,12+/m1/s1
InChIKeyJNYJDTACKXRVQH-NEPJUHHUSA-N
MW308.38 g/mol
LogP2.32
Rot. Bonds7

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea (PubChem CID 95975973) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea
PubChem CID95975973
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESCCO[C@H](C)c1noc(CNC(=O)NC[C@H]2CC=CCC2)n1
InChIInChI=1S/C15H24N4O3/c1-3-21-11(2)14-18-13(22-19-14)10-17-15(20)16-9-12-7-5-4-6-8-12/h4-5,11-12H,3,6-10H2,1-2H3,(H2,16,17,20)/t11-,12+/m1/s1
InChIKeyJNYJDTACKXRVQH-NEPJUHHUSA-N
XLogP2.32
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
CID 97157377
(4aR,7aR)-N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 100895387
2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 96523969
(3S)-N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324930
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylguanidine;hydroiodide
CID 109390675
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384545
1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111511704
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
1-butan-2-yl-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylguanidine;hydroiodide
CID 111492117
N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 95985146

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea (CID 95975973) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea is CCO[C@H](C)c1noc(CNC(=O)NC[C@H]2CC=CCC2)n1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea?
The InChIKey is JNYJDTACKXRVQH-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-21-11(2)14-18-13(22-19-14)10-17-15(20)16-9-12-7-5-4-6-8-12/h4-5,11-12H,3,6-10H2,1-2H3,(H2,16,17,20)/t11-,12+/m1/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea has a molecular weight of 308.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]urea is sourced from PubChem (CID 95975973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).