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

C16H24N2O4 — CID 19881975

IUPAC4-(2-methylpropyl)-2-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(CCC2=NC(CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C16H24N2O4/c1-9(2)7-11-15(19)21-13(17-11)5-6-14-18-12(8-10(3)4)16(20)22-14/h9-12H,5-8H2,1-4H3
InChIKeyPHGJBXLIMZOGAN-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.51
Rot. Bonds7

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

4-(2-methylpropyl)-2-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one (PubChem CID 19881975) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-[2-[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-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one
PubChem CID19881975
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-(2-methylpropyl)-2-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(CCC2=NC(CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C16H24N2O4/c1-9(2)7-11-15(19)21-13(17-11)5-6-14-18-12(8-10(3)4)16(20)22-14/h9-12H,5-8H2,1-4H3
InChIKeyPHGJBXLIMZOGAN-UHFFFAOYSA-N
XLogP2.51
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.51
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-[2-[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-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one (CID 19881975) is 4-(2-methylpropyl)-2-[2-[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-[2-[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-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one is CC(C)CC1N=C(CCC2=NC(CC(C)C)C(=O)O2)OC1=O.
What is the InChIKey of 4-(2-methylpropyl)-2-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one?
The InChIKey is PHGJBXLIMZOGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-9(2)7-11-15(19)21-13(17-11)5-6-14-18-12(8-10(3)4)16(20)22-14/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one?
4-(2-methylpropyl)-2-[2-[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 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-[2-[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]ethyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19881975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).