4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one

C16H27NO2 — CID 10491949

IUPAC4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one
SMILESCCCCCc1nc(C(=O)CCC(C)(C)C)c(C)o1
InChIInChI=1S/C16H27NO2/c1-6-7-8-9-14-17-15(12(2)19-14)13(18)10-11-16(3,4)5/h6-11H2,1-5H3
InChIKeyPVQJDQUBMKKRCT-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.72
Rot. Bonds7

About 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one

4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one (PubChem CID 10491949) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one
PubChem CID10491949
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one
SMILESCCCCCc1nc(C(=O)CCC(C)(C)C)c(C)o1
InChIInChI=1S/C16H27NO2/c1-6-7-8-9-14-17-15(12(2)19-14)13(18)10-11-16(3,4)5/h6-11H2,1-5H3
InChIKeyPVQJDQUBMKKRCT-UHFFFAOYSA-N
XLogP4.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one (CID 10491949) is 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one is CCCCCc1nc(C(=O)CCC(C)(C)C)c(C)o1.
What is the InChIKey of 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one?
The InChIKey is PVQJDQUBMKKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-7-8-9-14-17-15(12(2)19-14)13(18)10-11-16(3,4)5/h6-11H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one?
4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one has a molecular weight of 265.40 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(5-methyl-2-pentyl-1,3-oxazol-4-yl)pentan-1-one is sourced from PubChem (CID 10491949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).