2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole

C16H27NO — CID 155110068

IUPAC2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
SMILESC=Cc1nc(C(C)(CC)CCCCCCC)co1
InChIInChI=1S/C16H27NO/c1-5-8-9-10-11-12-16(4,7-3)14-13-18-15(6-2)17-14/h6,13H,2,5,7-12H2,1,3-4H3
InChIKeyUMYOVJVOYCWODK-UHFFFAOYSA-N
MW249.40 g/mol
LogP5.35
Rot. Bonds9

About 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole

2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole (PubChem CID 155110068) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
PubChem CID155110068
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
SMILESC=Cc1nc(C(C)(CC)CCCCCCC)co1
InChIInChI=1S/C16H27NO/c1-5-8-9-10-11-12-16(4,7-3)14-13-18-15(6-2)17-14/h6,13H,2,5,7-12H2,1,3-4H3
InChIKeyUMYOVJVOYCWODK-UHFFFAOYSA-N
XLogP5.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.40
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
CID 126514041
2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole
CID 129256914
3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109996
3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole
CID 129140986
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378751
2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole
CID 167202889
2-fluoro-6-(3-methyloctan-3-yl)pyrazine
CID 146377439
2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
CID 129132669
3-ethenyl-1-methyl-5-(6-methyltridecan-6-yl)pyrazole
CID 167094263
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole?
The IUPAC name of 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole (CID 155110068) is 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole?
The canonical SMILES for 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole is C=Cc1nc(C(C)(CC)CCCCCCC)co1.
What is the InChIKey of 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole?
The InChIKey is UMYOVJVOYCWODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-8-9-10-11-12-16(4,7-3)14-13-18-15(6-2)17-14/h6,13H,2,5,7-12H2,1,3-4H3.
What are the key properties of 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole?
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole has a molecular weight of 249.40 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole is sourced from PubChem (CID 155110068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).