4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one

C18H28N2O4 — CID 19881970

IUPAC4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(CCCCCCCCCCC2=NC(C)C(=O)O2)OC1=O
InChIInChI=1S/C18H28N2O4/c1-13-17(21)23-15(19-13)11-9-7-5-3-4-6-8-10-12-16-20-14(2)18(22)24-16/h13-14H,3-12H2,1-2H3
InChIKeyJCOSXJNAQFCARR-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.58
Rot. Bonds11

About 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one

4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one (PubChem CID 19881970) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one
PubChem CID19881970
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one
SMILESCC1N=C(CCCCCCCCCCC2=NC(C)C(=O)O2)OC1=O
InChIInChI=1S/C18H28N2O4/c1-13-17(21)23-15(19-13)11-9-7-5-3-4-6-8-10-12-16-20-14(2)18(22)24-16/h13-14H,3-12H2,1-2H3
InChIKeyJCOSXJNAQFCARR-UHFFFAOYSA-N
XLogP3.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-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-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one (CID 19881970) is 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one is CC1N=C(CCCCCCCCCCC2=NC(C)C(=O)O2)OC1=O.
What is the InChIKey of 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one?
The InChIKey is JCOSXJNAQFCARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-17(21)23-15(19-13)11-9-7-5-3-4-6-8-10-12-16-20-14(2)18(22)24-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one?
4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one has a molecular weight of 336.43 g/mol, XLogP of 3.58, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[10-(4-methyl-5-oxo-4H-1,3-oxazol-2-yl)decyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19881970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).