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

C20H32N2O4 — CID 19881976

IUPAC2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC1(C)N=C(CCCCCCCCCCC2=NC(C)(C)C(=O)O2)OC1=O
InChIInChI=1S/C20H32N2O4/c1-19(2)17(23)25-15(21-19)13-11-9-7-5-6-8-10-12-14-16-22-20(3,4)18(24)26-16/h5-14H2,1-4H3
InChIKeyYEGYPUXZMURDLE-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.36
Rot. Bonds11

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

2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 19881976) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID19881976
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC1(C)N=C(CCCCCCCCCCC2=NC(C)(C)C(=O)O2)OC1=O
InChIInChI=1S/C20H32N2O4/c1-19(2)17(23)25-15(21-19)13-11-9-7-5-6-8-10-12-14-16-22-20(3,4)18(24)26-16/h5-14H2,1-4H3
InChIKeyYEGYPUXZMURDLE-UHFFFAOYSA-N
XLogP4.36
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.36
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-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one (CID 19881976) is 2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one is CC1(C)N=C(CCCCCCCCCCC2=NC(C)(C)C(=O)O2)OC1=O.
What is the InChIKey of 2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is YEGYPUXZMURDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-19(2)17(23)25-15(21-19)13-11-9-7-5-6-8-10-12-14-16-22-20(3,4)18(24)26-16/h5-14H2,1-4H3.
What are the key properties of 2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one?
2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 364.49 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)decyl]-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 19881976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).