2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole

C13H21NO — CID 167202889

IUPAC2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole
SMILESC=Cc1ncc(C(C)(C)CCCCC)o1
InChIInChI=1S/C13H21NO/c1-5-7-8-9-13(3,4)11-10-14-12(6-2)15-11/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeyAJXHCXCKHYRNFT-UHFFFAOYSA-N
MW207.32 g/mol
LogP4.18
Rot. Bonds6

About 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole

2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole (PubChem CID 167202889) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole
PubChem CID167202889
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole
SMILESC=Cc1ncc(C(C)(C)CCCCC)o1
InChIInChI=1S/C13H21NO/c1-5-7-8-9-13(3,4)11-10-14-12(6-2)15-11/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeyAJXHCXCKHYRNFT-UHFFFAOYSA-N
XLogP4.18
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 54.18
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

2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
CID 152581875
2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
CID 129132669
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
CID 140580733
4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398
4-methyl-4-methylselanyldec-1-ene
CID 13321274
2-ethynyl-5-(2-methylheptan-2-yl)-1H-imidazole
CID 129132503
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
5-(2-methyloctan-2-yl)-1H-imidazole
CID 137457027
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole?
The IUPAC name of 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole (CID 167202889) is 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole?
The canonical SMILES for 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole is C=Cc1ncc(C(C)(C)CCCCC)o1.
What is the InChIKey of 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole?
The InChIKey is AJXHCXCKHYRNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-7-8-9-13(3,4)11-10-14-12(6-2)15-11/h6,10H,2,5,7-9H2,1,3-4H3.
What are the key properties of 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole?
2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole has a molecular weight of 207.32 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole is sourced from PubChem (CID 167202889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).