(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one

C11H15N3O2 — CID 86816068

IUPAC(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one
SMILESCc1c(/C=C/C(=O)N2CCCO2)cnn1C
InChIInChI=1S/C11H15N3O2/c1-9-10(8-12-13(9)2)4-5-11(15)14-6-3-7-16-14/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyONGQUGHZBCFAAA-SNAWJCMRSA-N
MW221.26 g/mol
LogP0.91
Rot. Bonds2

About (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one

(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one (PubChem CID 86816068) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one
PubChem CID86816068
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one
SMILESCc1c(/C=C/C(=O)N2CCCO2)cnn1C
InChIInChI=1S/C11H15N3O2/c1-9-10(8-12-13(9)2)4-5-11(15)14-6-3-7-16-14/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyONGQUGHZBCFAAA-SNAWJCMRSA-N
XLogP0.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one (CID 86816068) is (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one is Cc1c(/C=C/C(=O)N2CCCO2)cnn1C.
What is the InChIKey of (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one?
The InChIKey is ONGQUGHZBCFAAA-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9-10(8-12-13(9)2)4-5-11(15)14-6-3-7-16-14/h4-5,8H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one?
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one has a molecular weight of 221.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,5-dimethylpyrazol-4-yl)-1-(1,2-oxazolidin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 86816068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).