4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole

C9H14N2O2 — CID 158489732

IUPAC4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.C=C(C)C1=NCCO1
InChIInChI=1S/C6H9NO.C3H5NO/c1-5(2)6-7-3-4-8-6;1-2-5-3-4-1/h1,3-4H2,2H3;3H,1-2H2
InChIKeyHINXNASMYSJZGR-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.04
Rot. Bonds1

About 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole

4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 158489732) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID158489732
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.C=C(C)C1=NCCO1
InChIInChI=1S/C6H9NO.C3H5NO/c1-5(2)6-7-3-4-8-6;1-2-5-3-4-1/h1,3-4H2,2H3;3H,1-2H2
InChIKeyHINXNASMYSJZGR-UHFFFAOYSA-N
XLogP1.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole (CID 158489732) is 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole is C1=NCCO1.C=C(C)C1=NCCO1.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is HINXNASMYSJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H5NO/c1-5(2)6-7-3-4-8-6;1-2-5-3-4-1/h1,3-4H2,2H3;3H,1-2H2.
What are the key properties of 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole?
4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 182.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 158489732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).