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3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole

C14H16FN5O2 — CID 154771169

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C(C)C)c1-c1nc(-c2cnn(CCF)c2)no1
InChIInChI=1S/C14H16FN5O2/c1-8(2)12-11(9(3)18-21-12)14-17-13(19-22-14)10-6-16-20(7-10)5-4-15/h6-8H,4-5H2,1-3H3
InChIKeyCEYAYARKMNWMSV-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.99
Rot. Bonds5

About 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole

3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole (PubChem CID 154771169) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
PubChem CID154771169
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C(C)C)c1-c1nc(-c2cnn(CCF)c2)no1
InChIInChI=1S/C14H16FN5O2/c1-8(2)12-11(9(3)18-21-12)14-17-13(19-22-14)10-6-16-20(7-10)5-4-15/h6-8H,4-5H2,1-3H3
InChIKeyCEYAYARKMNWMSV-UHFFFAOYSA-N
XLogP2.99
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole (CID 154771169) is 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole is Cc1noc(C(C)C)c1-c1nc(-c2cnn(CCF)c2)no1.
What is the InChIKey of 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is CEYAYARKMNWMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-8(2)12-11(9(3)18-21-12)14-17-13(19-22-14)10-6-16-20(7-10)5-4-15/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 305.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154771169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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