1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea

C19H34N4O3 — CID 136631992

IUPAC1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C/CCCCCc1noc(=O)[nH]1
InChIInChI=1S/C19H34N4O3/c1-2-3-12-15-20-18(24)21-16-13-10-8-6-4-5-7-9-11-14-17-22-19(25)26-23-17/h4,6H,2-3,5,7-16H2,1H3,(H2,20,21,24)(H,22,23,25)/b6-4+
InChIKeyXSUAUTZDIXUWLZ-GQCTYLIASA-N
MW366.51 g/mol
LogP3.68
Rot. Bonds15

About 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea

1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea (PubChem CID 136631992) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea
PubChem CID136631992
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C/CCCCCc1noc(=O)[nH]1
InChIInChI=1S/C19H34N4O3/c1-2-3-12-15-20-18(24)21-16-13-10-8-6-4-5-7-9-11-14-17-22-19(25)26-23-17/h4,6H,2-3,5,7-16H2,1H3,(H2,20,21,24)(H,22,23,25)/b6-4+
InChIKeyXSUAUTZDIXUWLZ-GQCTYLIASA-N
XLogP3.68
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea?
The IUPAC name of 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea (CID 136631992) is 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea is CCCCCNC(=O)NCCCC/C=C/CCCCCc1noc(=O)[nH]1.
What is the InChIKey of 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea?
The InChIKey is XSUAUTZDIXUWLZ-GQCTYLIASA-N. The full InChI is InChI=1S/C19H34N4O3/c1-2-3-12-15-20-18(24)21-16-13-10-8-6-4-5-7-9-11-14-17-22-19(25)26-23-17/h4,6H,2-3,5,7-16H2,1H3,(H2,20,21,24)(H,22,23,25)/b6-4+.
What are the key properties of 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea?
1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea has a molecular weight of 366.51 g/mol, XLogP of 3.68, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-11-(5-oxo-4H-1,2,4-oxadiazol-3-yl)undec-5-enyl]-3-pentylurea is sourced from PubChem (CID 136631992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).