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

C14H20N2O4 — CID 19881980

IUPAC2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(CCC2=NC(C(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C14H20N2O4/c1-7(2)11-13(17)19-9(15-11)5-6-10-16-12(8(3)4)14(18)20-10/h7-8,11-12H,5-6H2,1-4H3
InChIKeyPQJFVRDLOVJMPY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.73
Rot. Bonds5

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

2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 19881980) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID19881980
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(CCC2=NC(C(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C14H20N2O4/c1-7(2)11-13(17)19-9(15-11)5-6-10-16-12(8(3)4)14(18)20-10/h7-8,11-12H,5-6H2,1-4H3
InChIKeyPQJFVRDLOVJMPY-UHFFFAOYSA-N
XLogP1.73
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
CID 366908
2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 14905591
4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one
CID 19078022
4-methyl-2-[2-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 19078043
2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881963
2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881965
2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 19881972
4-(2-methylpropyl)-2-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one
CID 19881975
4-methyl-2-[1-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)ethyl]-4H-1,3-oxazol-5-one
CID 23054506
4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one
CID 23056145
2-[1-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 53983662
2-[3-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)butan-2-yl]-4,4-dimethyl-1,3-oxazol-5-one
CID 146357147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 19881980) is 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(CCC2=NC(C(C)C)C(=O)O2)OC1=O.
What is the InChIKey of 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is PQJFVRDLOVJMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-7(2)11-13(17)19-9(15-11)5-6-10-16-12(8(3)4)14(18)20-10/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 280.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19881980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).