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

C11H18N2O2 — CID 57177356

IUPAC2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(CCCCC2=NCCO2)O1
InChIInChI=1S/C11H18N2O2/c1-9-8-13-11(15-9)5-3-2-4-10-12-6-7-14-10/h9H,2-8H2,1H3
InChIKeyCYRTZVHQVVYOGJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.79
Rot. Bonds5

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

2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 57177356) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID57177356
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(CCCCC2=NCCO2)O1
InChIInChI=1S/C11H18N2O2/c1-9-8-13-11(15-9)5-3-2-4-10-12-6-7-14-10/h9H,2-8H2,1H3
InChIKeyCYRTZVHQVVYOGJ-UHFFFAOYSA-N
XLogP1.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.79
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 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole (CID 57177356) is 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole is CC1CN=C(CCCCC2=NCCO2)O1.
What is the InChIKey of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CYRTZVHQVVYOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-8-13-11(15-9)5-3-2-4-10-12-6-7-14-10/h9H,2-8H2,1H3.
What are the key properties of 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole?
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 210.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57177356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).