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

C13H18N2O4 — CID 19881965

IUPAC2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(CC2=NC(C(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C13H18N2O4/c1-6(2)10-12(16)18-8(14-10)5-9-15-11(7(3)4)13(17)19-9/h6-7,10-11H,5H2,1-4H3
InChIKeyMNKGJLCEYRTBNX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.34
Rot. Bonds4

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

2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 19881965) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID19881965
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(CC2=NC(C(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C13H18N2O4/c1-6(2)10-12(16)18-8(14-10)5-9-15-11(7(3)4)13(17)19-9/h6-7,10-11H,5H2,1-4H3
InChIKeyMNKGJLCEYRTBNX-UHFFFAOYSA-N
XLogP1.34
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 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) is 2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(CC2=NC(C(C)C)C(=O)O2)OC1=O.
What is the InChIKey of 2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is MNKGJLCEYRTBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-6(2)10-12(16)18-8(14-10)5-9-15-11(7(3)4)13(17)19-9/h6-7,10-11H,5H2,1-4H3.
What are the key properties of 2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 266.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19881965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).