4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole

C24H41NO — CID 6422236

IUPAC4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole
SMILESCCCCC/C=C/C/C=C/CCCC/C=C/CCCC1=NC(C)(C)CO1
InChIInChI=1S/C24H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h8-9,11-12,17-18H,4-7,10,13-16,19-22H2,1-3H3/b9-8+,12-11+,18-17+
InChIKeyHRUARCFLRZZIIH-BDZZVDEESA-N
MW359.60 g/mol
LogP7.56
Rot. Bonds15

About 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole

4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole (PubChem CID 6422236) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole
PubChem CID6422236
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC Name4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole
SMILESCCCCC/C=C/C/C=C/CCCC/C=C/CCCC1=NC(C)(C)CO1
InChIInChI=1S/C24H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h8-9,11-12,17-18H,4-7,10,13-16,19-22H2,1-3H3/b9-8+,12-11+,18-17+
InChIKeyHRUARCFLRZZIIH-BDZZVDEESA-N
XLogP7.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
2-[(9E,11E)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370410
2-[(9E,11Z)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 91712819
2-[(12Z,15Z)-heptadeca-12,15-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 91712816
4,4-dimethyl-2-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]-5H-1,3-oxazole
CID 91705221
[(4S)-4-ethyl-2-[(8Z,11E)-heptadeca-8,11-dienyl]-5H-1,3-oxazol-4-yl]methanol
CID 92529685
[(4R)-2-[(E)-heptadec-8-enyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 99116631
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole (CID 6422236) is 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole is CCCCC/C=C/C/C=C/CCCC/C=C/CCCC1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole?
The InChIKey is HRUARCFLRZZIIH-BDZZVDEESA-N. The full InChI is InChI=1S/C24H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h8-9,11-12,17-18H,4-7,10,13-16,19-22H2,1-3H3/b9-8+,12-11+,18-17+.
What are the key properties of 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole has a molecular weight of 359.60 g/mol, XLogP of 7.56, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole is sourced from PubChem (CID 6422236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).