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

C16H24N2O4 — CID 23056145

IUPAC4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(C(C)C2=NC(CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C16H24N2O4/c1-8(2)6-11-15(19)21-13(17-11)10(5)14-18-12(7-9(3)4)16(20)22-14/h8-12H,6-7H2,1-5H3
InChIKeyKULJQSUNGSGJHU-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.36
Rot. Bonds6

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

4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one (PubChem CID 23056145) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one
PubChem CID23056145
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(C(C)C2=NC(CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C16H24N2O4/c1-8(2)6-11-15(19)21-13(17-11)10(5)14-18-12(7-9(3)4)16(20)22-14/h8-12H,6-7H2,1-5H3
InChIKeyKULJQSUNGSGJHU-UHFFFAOYSA-N
XLogP2.36
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 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) is 4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one is CC(C)CC1N=C(C(C)C2=NC(CC(C)C)C(=O)O2)OC1=O.
What is the InChIKey of 4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one?
The InChIKey is KULJQSUNGSGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-8(2)6-11-15(19)21-13(17-11)10(5)14-18-12(7-9(3)4)16(20)22-14/h8-12H,6-7H2,1-5H3.
What are the key properties of 4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one?
4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one has a molecular weight of 308.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-[1-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 23056145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).