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

C11H18N2O2 — CID 57197461

IUPAC2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(CCC(C)C2=NCCO2)O1
InChIInChI=1S/C11H18N2O2/c1-8(11-12-5-6-14-11)3-4-10-13-7-9(2)15-10/h8-9H,3-7H2,1-2H3
InChIKeyJSSQMMJEMUTNBH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds4

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

2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 57197461) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID57197461
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(CCC(C)C2=NCCO2)O1
InChIInChI=1S/C11H18N2O2/c1-8(11-12-5-6-14-11)3-4-10-13-7-9(2)15-10/h8-9H,3-7H2,1-2H3
InChIKeyJSSQMMJEMUTNBH-UHFFFAOYSA-N
XLogP1.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
CID 20036726
2-[3-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 57025825
2-[3-(4,5-Dihydro-1,3-oxazol-2-yl)butyl]-4-ethyl-4,5-dihydro-1,3-oxazole
CID 57055580
2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)butan-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 57062954
2-[1,3-Bis(4,5-dihydro-1,3-oxazol-2-yl)propyl]-4,5-dihydro-1,3-oxazole
CID 57074726
4-Methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole
CID 57081592
2-[3-(4,5-Dihydro-1,3-oxazol-2-yl)butyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 57128283
2-[3-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 57153937
2-[4-(4-Ethyl-4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 57218866
4-Methyl-2-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57235410
2-[1,3-Bis(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57244596
2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)butan-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 57266493

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole (CID 57197461) is 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole is CC1CN=C(CCC(C)C2=NCCO2)O1.
What is the InChIKey of 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is JSSQMMJEMUTNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(11-12-5-6-14-11)3-4-10-13-7-9(2)15-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole?
2-[3-(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 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57197461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).