5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole

C14H25NO — CID 22891115

IUPAC5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole
SMILESCC(C)CCCCc1ocnc1CC(C)C
InChIInChI=1S/C14H25NO/c1-11(2)7-5-6-8-14-13(9-12(3)4)15-10-16-14/h10-12H,5-9H2,1-4H3
InChIKeyDNDGLTHQDMYSCD-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.24
Rot. Bonds7

About 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole

5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole (PubChem CID 22891115) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole
PubChem CID22891115
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole
SMILESCC(C)CCCCc1ocnc1CC(C)C
InChIInChI=1S/C14H25NO/c1-11(2)7-5-6-8-14-13(9-12(3)4)15-10-16-14/h10-12H,5-9H2,1-4H3
InChIKeyDNDGLTHQDMYSCD-UHFFFAOYSA-N
XLogP4.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole?
The IUPAC name of 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole (CID 22891115) is 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole?
The canonical SMILES for 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole is CC(C)CCCCc1ocnc1CC(C)C.
What is the InChIKey of 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole?
The InChIKey is DNDGLTHQDMYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)7-5-6-8-14-13(9-12(3)4)15-10-16-14/h10-12H,5-9H2,1-4H3.
What are the key properties of 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole?
5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole has a molecular weight of 223.36 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylhexyl)-4-(2-methylpropyl)-1,3-oxazole is sourced from PubChem (CID 22891115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).