2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone

C18H16FN3O2 — CID 158827256

IUPAC2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone
SMILESC=C(C)c1cc(C(=O)Cc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C18H16FN3O2/c1-12(2)18-8-16(21-24-18)17(23)7-14-9-20-22(11-14)10-13-4-3-5-15(19)6-13/h3-6,8-9,11H,1,7,10H2,2H3
InChIKeyMQFBSGAFYSQYOY-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.52
Rot. Bonds6

About 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone

2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone (PubChem CID 158827256) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone
PubChem CID158827256
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone
SMILESC=C(C)c1cc(C(=O)Cc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C18H16FN3O2/c1-12(2)18-8-16(21-24-18)17(23)7-14-9-20-22(11-14)10-13-4-3-5-15(19)6-13/h3-6,8-9,11H,1,7,10H2,2H3
InChIKeyMQFBSGAFYSQYOY-UHFFFAOYSA-N
XLogP3.52
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone (CID 158827256) is 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone is C=C(C)c1cc(C(=O)Cc2cnn(Cc3cccc(F)c3)c2)no1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone?
The InChIKey is MQFBSGAFYSQYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12(2)18-8-16(21-24-18)17(23)7-14-9-20-22(11-14)10-13-4-3-5-15(19)6-13/h3-6,8-9,11H,1,7,10H2,2H3.
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone?
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone has a molecular weight of 325.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 158827256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).