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

C11H18N2O2 — CID 20689595

IUPAC2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole
SMILESCC1N=C(CC2=NC(C)C(C)O2)OC1C
InChIInChI=1S/C11H18N2O2/c1-6-8(3)14-10(12-6)5-11-13-7(2)9(4)15-11/h6-9H,5H2,1-4H3
InChIKeyCDHBANZMDHRMKH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.79
Rot. Bonds2

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

2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole (PubChem CID 20689595) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole
PubChem CID20689595
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole
SMILESCC1N=C(CC2=NC(C)C(C)O2)OC1C
InChIInChI=1S/C11H18N2O2/c1-6-8(3)14-10(12-6)5-11-13-7(2)9(4)15-11/h6-9H,5H2,1-4H3
InChIKeyCDHBANZMDHRMKH-UHFFFAOYSA-N
XLogP1.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole (CID 20689595) is 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole is CC1N=C(CC2=NC(C)C(C)O2)OC1C.
What is the InChIKey of 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CDHBANZMDHRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6-8(3)14-10(12-6)5-11-13-7(2)9(4)15-11/h6-9H,5H2,1-4H3.
What are the key properties of 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole?
2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 210.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 20689595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).