(Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione

C15H12FNO4 — CID 118244664

IUPAC(Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione
SMILESCC(=O)/C(O)=C/C(=O)c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H12FNO4/c1-9(18)13(19)7-14(20)15-17-8-12(21-15)6-10-2-4-11(16)5-3-10/h2-5,7-8,19H,6H2,1H3/b13-7-
InChIKeyZIQCZJKKAJPFBH-QPEQYQDCSA-N
MW289.26 g/mol
LogP2.62
Rot. Bonds5

About (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione

(Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione (PubChem CID 118244664) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione
PubChem CID118244664
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name(Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione
SMILESCC(=O)/C(O)=C/C(=O)c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H12FNO4/c1-9(18)13(19)7-14(20)15-17-8-12(21-15)6-10-2-4-11(16)5-3-10/h2-5,7-8,19H,6H2,1H3/b13-7-
InChIKeyZIQCZJKKAJPFBH-QPEQYQDCSA-N
XLogP2.62
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-hydroxy-4-oxobut-2-enoic acid
CID 150021266
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-pyrazin-2-ylprop-2-en-1-one
CID 6478848
methyl (Z)-4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate
CID 22209624
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide
CID 69138597
6-[(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxy-3-oxoprop-1-enyl]pyridine-3-carboxylic acid
CID 6478850
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82291025
methyl 5-[5-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazol-4-yl]-4-hydroxy-2,5-dioxopent-3-enoate
CID 66789307
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431523
1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-en-1-one
CID 509499
(E)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(5-propyl-1H-1,2,4-triazol-3-yl)prop-2-en-1-one
CID 22209642
1-(2-benzyl-1,3-oxazol-5-yl)propan-2-one
CID 115086676
5-[(4-fluorophenyl)methyl]-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylic acid
CID 70799272

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione?
The IUPAC name of (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione (CID 118244664) is (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione.
What is the SMILES notation for (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione?
The canonical SMILES for (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione is CC(=O)/C(O)=C/C(=O)c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione?
The InChIKey is ZIQCZJKKAJPFBH-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-9(18)13(19)7-14(20)15-17-8-12(21-15)6-10-2-4-11(16)5-3-10/h2-5,7-8,19H,6H2,1H3/b13-7-.
What are the key properties of (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione?
(Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione has a molecular weight of 289.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-hydroxypent-2-ene-1,4-dione is sourced from PubChem (CID 118244664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).