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

C9H14N2O2 — CID 18372139

IUPAC2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(CC1=NCCO1)C1=NCCO1
InChIInChI=1S/C9H14N2O2/c1-7(9-11-3-5-13-9)6-8-10-2-4-12-8/h7H,2-6H2,1H3
InChIKeyZGJYYDDMJCHPQT-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.87
Rot. Bonds3

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

2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 18372139) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID18372139
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(CC1=NCCO1)C1=NCCO1
InChIInChI=1S/C9H14N2O2/c1-7(9-11-3-5-13-9)6-8-10-2-4-12-8/h7H,2-6H2,1H3
InChIKeyZGJYYDDMJCHPQT-UHFFFAOYSA-N
XLogP0.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole (CID 18372139) is 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole is CC(CC1=NCCO1)C1=NCCO1.
What is the InChIKey of 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZGJYYDDMJCHPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(9-11-3-5-13-9)6-8-10-2-4-12-8/h7H,2-6H2,1H3.
What are the key properties of 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole?
2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 182.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18372139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).