2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one

C16H24N2O4 — CID 19881969

IUPAC2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(CCCCCCCCCCC2=NCC(=O)O2)O1
InChIInChI=1S/C16H24N2O4/c19-15-11-17-13(21-15)9-7-5-3-1-2-4-6-8-10-14-18-12-16(20)22-14/h1-12H2
InChIKeyDFAWQYROSGGZCU-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.80
Rot. Bonds11

About 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one

2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one (PubChem CID 19881969) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one
PubChem CID19881969
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(CCCCCCCCCCC2=NCC(=O)O2)O1
InChIInChI=1S/C16H24N2O4/c19-15-11-17-13(21-15)9-7-5-3-1-2-4-6-8-10-14-18-12-16(20)22-14/h1-12H2
InChIKeyDFAWQYROSGGZCU-UHFFFAOYSA-N
XLogP2.80
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one (CID 19881969) is 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one is O=C1CN=C(CCCCCCCCCCC2=NCC(=O)O2)O1.
What is the InChIKey of 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one?
The InChIKey is DFAWQYROSGGZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c19-15-11-17-13(21-15)9-7-5-3-1-2-4-6-8-10-14-18-12-16(20)22-14/h1-12H2.
What are the key properties of 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one?
2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one has a molecular weight of 308.38 g/mol, XLogP of 2.80, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19881969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).