2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole

C24H36FNO — CID 13044955

IUPAC2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCCCC/C=C\CCCCC#CCC#CCCC(F)C1=NC(C)(C)CO1
InChIInChI=1S/C24H36FNO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-26-24(2,3)21-27-23/h8-9,22H,4-7,10-13,16,19-21H2,1-3H3/b9-8-
InChIKeySEZCGGIGLLQPGO-HJWRWDBZSA-N
MW373.56 g/mol
LogP6.41
Rot. Bonds11

About 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole

2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 13044955) has the molecular formula C24H36FNO and a molecular weight of 373.56 g/mol. Its IUPAC name is 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID13044955
Molecular FormulaC24H36FNO
Molecular Weight373.56 g/mol
Exact Mass373.28
IUPAC Name2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCCCC/C=C\CCCCC#CCC#CCCC(F)C1=NC(C)(C)CO1
InChIInChI=1S/C24H36FNO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-26-24(2,3)21-27-23/h8-9,22H,4-7,10-13,16,19-21H2,1-3H3/b9-8-
InChIKeySEZCGGIGLLQPGO-HJWRWDBZSA-N
XLogP6.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.56
LogP ≤ 56.41
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-fluoroicos-14-en-5,8-diynoic acid
CID 13044957
2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole
CID 6422236
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
(Z)-pentadec-6-en-9-yne
CID 10703505
heptadeca-4,7,10-triyne
CID 171715223
trimethyl-[(E)-tetradec-2-en-7-ynyl]silane
CID 102119470
octadec-6-enenitrile
CID 54098739
icosa-5,8,11-triyne
CID 139696043
deca-1,4-diynyl(trimethyl)silane
CID 11031014
(Z)-hexadec-5-en-9-yne;hydrobromide
CID 88713711

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole (CID 13044955) is 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole is CCCCC/C=C\CCCCC#CCC#CCCC(F)C1=NC(C)(C)CO1.
What is the InChIKey of 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is SEZCGGIGLLQPGO-HJWRWDBZSA-N. The full InChI is InChI=1S/C24H36FNO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-26-24(2,3)21-27-23/h8-9,22H,4-7,10-13,16,19-21H2,1-3H3/b9-8-.
What are the key properties of 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 373.56 g/mol, XLogP of 6.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-fluorononadec-13-en-4,7-diynyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 13044955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).