3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole

C21H18FN3O2 — CID 90089486

IUPAC3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole
SMILESCOc1ccc(Cn2cc(-c3ccon3)c(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C21H18FN3O2/c1-26-17-8-6-15(7-9-17)13-25-14-18(20-10-11-27-24-20)21(23-25)12-16-4-2-3-5-19(16)22/h2-11,14H,12-13H2,1H3
InChIKeyDPWNUFJNUWDSHV-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.32
Rot. Bonds6

About 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole

3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole (PubChem CID 90089486) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole
PubChem CID90089486
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole
SMILESCOc1ccc(Cn2cc(-c3ccon3)c(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C21H18FN3O2/c1-26-17-8-6-15(7-9-17)13-25-14-18(20-10-11-27-24-20)21(23-25)12-16-4-2-3-5-19(16)22/h2-11,14H,12-13H2,1H3
InChIKeyDPWNUFJNUWDSHV-UHFFFAOYSA-N
XLogP4.32
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole (CID 90089486) is 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole is COc1ccc(Cn2cc(-c3ccon3)c(Cc3ccccc3F)n2)cc1.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole?
The InChIKey is DPWNUFJNUWDSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-26-17-8-6-15(7-9-17)13-25-14-18(20-10-11-27-24-20)21(23-25)12-16-4-2-3-5-19(16)22/h2-11,14H,12-13H2,1H3.
What are the key properties of 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole?
3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole has a molecular weight of 363.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 90089486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).