(E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one

C19H15FN2O3 — CID 108743270

IUPAC(E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H15FN2O3/c20-14-5-3-13(4-6-14)19-16-9-10-22(12-17(16)21-25-19)18(23)8-7-15-2-1-11-24-15/h1-8,11H,9-10,12H2/b8-7+
InChIKeyQFDFCEJCIGTHOF-BQYQJAHWSA-N
MW338.34 g/mol
LogP3.67
Rot. Bonds3

About (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one

(E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 108743270) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one
PubChem CID108743270
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name(E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H15FN2O3/c20-14-5-3-13(4-6-14)19-16-9-10-22(12-17(16)21-25-19)18(23)8-7-15-2-1-11-24-15/h1-8,11H,9-10,12H2/b8-7+
InChIKeyQFDFCEJCIGTHOF-BQYQJAHWSA-N
XLogP3.67
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.67
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)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one (CID 108743270) is (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCc2c(noc2-c2ccc(F)cc2)C1.
What is the InChIKey of (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is QFDFCEJCIGTHOF-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-14-5-3-13(4-6-14)19-16-9-10-22(12-17(16)21-25-19)18(23)8-7-15-2-1-11-24-15/h1-8,11H,9-10,12H2/b8-7+.
What are the key properties of (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 338.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 108743270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).