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

C15H22N2O4 — CID 19078022

IUPAC4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(CC2=NC(CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C15H22N2O4/c1-8(2)5-10-14(18)20-12(16-10)7-13-17-11(6-9(3)4)15(19)21-13/h8-11H,5-7H2,1-4H3
InChIKeyYWEHSBFBCPLPRK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.12
Rot. Bonds6

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

4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one (PubChem CID 19078022) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one
PubChem CID19078022
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(CC2=NC(CC(C)C)C(=O)O2)OC1=O
InChIInChI=1S/C15H22N2O4/c1-8(2)5-10-14(18)20-12(16-10)7-13-17-11(6-9(3)4)15(19)21-13/h8-11H,5-7H2,1-4H3
InChIKeyYWEHSBFBCPLPRK-UHFFFAOYSA-N
XLogP2.12
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one (CID 19078022) is 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one is CC(C)CC1N=C(CC2=NC(CC(C)C)C(=O)O2)OC1=O.
What is the InChIKey of 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one?
The InChIKey is YWEHSBFBCPLPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8(2)5-10-14(18)20-12(16-10)7-13-17-11(6-9(3)4)15(19)21-13/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one?
4-(2-methylpropyl)-2-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one has a molecular weight of 294.35 g/mol, XLogP of 2.12, 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-[[4-(2-methylpropyl)-5-oxo-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19078022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).