4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole

C18H32N2O2 — CID 22101606

IUPAC4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(CCCCCCCCCCC2=NC(C)CO2)=N1
InChIInChI=1S/C18H32N2O2/c1-15-13-21-17(19-15)11-9-7-5-3-4-6-8-10-12-18-20-16(2)14-22-18/h15-16H,3-14H2,1-2H3
InChIKeyCOFKYNMFUMLNDD-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.52
Rot. Bonds11

About 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole

4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole (PubChem CID 22101606) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole
PubChem CID22101606
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(CCCCCCCCCCC2=NC(C)CO2)=N1
InChIInChI=1S/C18H32N2O2/c1-15-13-21-17(19-15)11-9-7-5-3-4-6-8-10-12-18-20-16(2)14-22-18/h15-16H,3-14H2,1-2H3
InChIKeyCOFKYNMFUMLNDD-UHFFFAOYSA-N
XLogP4.52
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole (CID 22101606) is 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole is CC1COC(CCCCCCCCCCC2=NC(C)CO2)=N1.
What is the InChIKey of 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is COFKYNMFUMLNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-15-13-21-17(19-15)11-9-7-5-3-4-6-8-10-12-18-20-16(2)14-22-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 308.47 g/mol, XLogP of 4.52, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[10-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22101606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).