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

C18H32N2O2 — CID 57125465

IUPAC4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)(C1=NC(C)CO1)C1=NC(C)CO1
InChIInChI=1S/C18H32N2O2/c1-5-6-7-8-9-10-11-18(4,16-19-14(2)12-21-16)17-20-15(3)13-22-17/h14-15H,5-13H2,1-4H3
InChIKeyDLZBGOGBXKMCQK-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.38
Rot. Bonds9

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

4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 57125465) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID57125465
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)(C1=NC(C)CO1)C1=NC(C)CO1
InChIInChI=1S/C18H32N2O2/c1-5-6-7-8-9-10-11-18(4,16-19-14(2)12-21-16)17-20-15(3)13-22-17/h14-15H,5-13H2,1-4H3
InChIKeyDLZBGOGBXKMCQK-UHFFFAOYSA-N
XLogP4.38
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.38
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-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole (CID 57125465) is 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole is CCCCCCCCC(C)(C1=NC(C)CO1)C1=NC(C)CO1.
What is the InChIKey of 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DLZBGOGBXKMCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-5-6-7-8-9-10-11-18(4,16-19-14(2)12-21-16)17-20-15(3)13-22-17/h14-15H,5-13H2,1-4H3.
What are the key properties of 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 308.47 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57125465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).