[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

C18H19FN4O3 — CID 55473287

IUPAC[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCc1nn(C)c(C)c1CCC(=O)OCc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN4O3/c1-11-15(12(2)23(3)21-11)8-9-17(24)25-10-16-20-18(26-22-16)13-4-6-14(19)7-5-13/h4-7H,8-10H2,1-3H3
InChIKeyAWBBIRQDULRVHN-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.90
Rot. Bonds6

About [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (PubChem CID 55473287) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
PubChem CID55473287
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCc1nn(C)c(C)c1CCC(=O)OCc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H19FN4O3/c1-11-15(12(2)23(3)21-11)8-9-17(24)25-10-16-20-18(26-22-16)13-4-6-14(19)7-5-13/h4-7H,8-10H2,1-3H3
InChIKeyAWBBIRQDULRVHN-UHFFFAOYSA-N
XLogP2.90
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (CID 55473287) is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is Cc1nn(C)c(C)c1CCC(=O)OCc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The InChIKey is AWBBIRQDULRVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-11-15(12(2)23(3)21-11)8-9-17(24)25-10-16-20-18(26-22-16)13-4-6-14(19)7-5-13/h4-7H,8-10H2,1-3H3.
What are the key properties of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate has a molecular weight of 358.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 55473287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).