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

C18H20N2O4 — CID 19078011

IUPAC2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2cccc(C3=NC(C(C)C)C(=O)O3)c2)OC1=O
InChIInChI=1S/C18H20N2O4/c1-9(2)13-17(21)23-15(19-13)11-6-5-7-12(8-11)16-20-14(10(3)4)18(22)24-16/h5-10,13-14H,1-4H3
InChIKeyJRCBWKUHJXPNEX-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.34
Rot. Bonds4

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

2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 19078011) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID19078011
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2cccc(C3=NC(C(C)C)C(=O)O3)c2)OC1=O
InChIInChI=1S/C18H20N2O4/c1-9(2)13-17(21)23-15(19-13)11-6-5-7-12(8-11)16-20-14(10(3)4)18(22)24-16/h5-10,13-14H,1-4H3
InChIKeyJRCBWKUHJXPNEX-UHFFFAOYSA-N
XLogP2.34
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 19078011) is 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(c2cccc(C3=NC(C(C)C)C(=O)O3)c2)OC1=O.
What is the InChIKey of 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is JRCBWKUHJXPNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-9(2)13-17(21)23-15(19-13)11-6-5-7-12(8-11)16-20-14(10(3)4)18(22)24-16/h5-10,13-14H,1-4H3.
What are the key properties of 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 328.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19078011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).